 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer11_STD_M11_def2SVPD.in
 Output=30_ibuprofen_conformer11_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/30_ibuprofen/Gau-43206.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     43208.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                29-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer11_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep 29 11:52:27 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer11_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.999465000000     -1.196404000000      0.969136000000
  C                                                 1.596854000000     -0.854615000000     -0.242805000000
  C                                                -0.373383000000     -1.089601000000      1.148990000000
  C                                                -1.197567000000     -0.646006000000      0.118540000000
  C                                                -0.607540000000     -0.309456000000     -1.099214000000
  C                                                 0.764497000000     -0.415297000000     -1.273478000000
  C                                                 3.089352000000     -0.933039000000     -0.426740000000
  C                                                 3.863458000000      0.355956000000     -0.060011000000
  C                                                 3.724742000000      0.714773000000      1.418841000000
  C                                                 3.474654000000      1.538350000000     -0.946480000000
  C                                                -2.698290000000     -0.547550000000      0.336035000000
  C                                                -3.112492000000      0.912406000000      0.380989000000
  O                                                -3.301927000000      1.545130000000      1.386242000000
  O                                                -3.236904000000      1.461286000000     -0.851756000000
  H                                                 1.615792000000     -1.553364000000      1.784982000000
  H                                                -0.810943000000     -1.358118000000      2.102796000000
  H                                                -1.221792000000      0.044896000000     -1.915977000000
  H                                                 1.198598000000     -0.153574000000     -2.230639000000
  H                                                 3.310060000000     -1.178961000000     -1.468652000000
  H                                                 3.483227000000     -1.751920000000      0.180680000000
  H                                                 4.918355000000      0.129746000000     -0.250425000000
  H                                                 2.693477000000      0.972860000000      1.666766000000
  H                                                 4.350853000000      1.574253000000      1.666193000000
  H                                                 4.026509000000     -0.115358000000      2.061505000000
  H                                                 3.596304000000      1.300958000000     -2.005766000000
  H                                                 4.098076000000      2.406584000000     -0.724159000000
  H                                                 2.434212000000      1.826365000000     -0.784696000000
  H                                                -2.911214000000     -0.920205000000      1.337383000000
  C                                                -3.505151000000     -1.357997000000     -0.684885000000
  H                                                -3.465219000000      2.394674000000     -0.720115000000
  H                                                -3.324283000000     -1.011646000000     -1.700587000000
  H                                                -4.575148000000     -1.279853000000     -0.485627000000
  H                                                -3.217816000000     -2.407791000000     -0.623061000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep 29 11:52:27 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.999465   -1.196404    0.969136
      2          6           0        1.596854   -0.854615   -0.242805
      3          6           0       -0.373383   -1.089601    1.148990
      4          6           0       -1.197567   -0.646006    0.118540
      5          6           0       -0.607540   -0.309456   -1.099214
      6          6           0        0.764497   -0.415297   -1.273478
      7          6           0        3.089352   -0.933039   -0.426740
      8          6           0        3.863458    0.355956   -0.060011
      9          6           0        3.724742    0.714773    1.418841
     10          6           0        3.474654    1.538350   -0.946480
     11          6           0       -2.698290   -0.547550    0.336035
     12          6           0       -3.112492    0.912406    0.380989
     13          8           0       -3.301927    1.545130    1.386242
     14          8           0       -3.236904    1.461286   -0.851756
     15          1           0        1.615792   -1.553364    1.784982
     16          1           0       -0.810943   -1.358118    2.102796
     17          1           0       -1.221792    0.044896   -1.915977
     18          1           0        1.198598   -0.153574   -2.230639
     19          1           0        3.310060   -1.178961   -1.468652
     20          1           0        3.483227   -1.751920    0.180680
     21          1           0        4.918355    0.129746   -0.250425
     22          1           0        2.693477    0.972860    1.666766
     23          1           0        4.350853    1.574253    1.666193
     24          1           0        4.026509   -0.115358    2.061505
     25          1           0        3.596304    1.300958   -2.005766
     26          1           0        4.098076    2.406584   -0.724159
     27          1           0        2.434212    1.826365   -0.784696
     28          1           0       -2.911214   -0.920205    1.337383
     29          6           0       -3.505151   -1.357997   -0.684885
     30          1           0       -3.465219    2.394674   -0.720115
     31          1           0       -3.324283   -1.011646   -1.700587
     32          1           0       -4.575148   -1.279853   -0.485627
     33          1           0       -3.217816   -2.407791   -0.623061
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.393734   0.000000
     3  C    1.388692   2.423664   0.000000
     4  C    2.419380   2.825398   1.392079   0.000000
     5  C    2.765360   2.426930   2.391208   1.394390   0.000000
     6  C    2.386348   1.395745   2.760038   2.416741   1.387103
     7  C    2.526946   1.505833   3.807620   4.330981   3.808948
     8  C    3.416346   2.576119   4.637040   5.162343   4.638161
     9  C    3.358864   3.122812   4.485891   5.269879   5.114520
    10  C    4.156323   3.122110   5.109257   5.266434   4.483528
    11  C    3.807259   4.344837   2.521886   1.519594   2.547129
    12  C    4.658453   5.068473   3.478588   2.482834   3.155746
    13  O    5.117808   5.693033   3.946450   3.291880   4.108126
    14  O    5.322197   5.394389   4.325478   3.088859   3.179673
    15  H    1.082998   2.144884   2.139247   3.393423   3.848259
    16  H    2.142175   3.398948   1.083193   2.143328   3.375490
    17  H    3.846906   3.399028   3.376522   2.148765   1.081653
    18  H    3.371307   2.145122   3.843067   3.391569   2.136950
    19  H    3.358863   2.131426   4.519711   4.808526   4.029902
    20  H    2.664458   2.131408   4.031096   4.810066   4.522522
    21  H    4.313201   3.464303   5.607821   6.175956   5.607928
    22  H    2.839379   2.861592   3.731952   4.489761   4.493517
    23  H    4.403888   4.138621   5.448121   6.173309   5.981764
    24  H    3.394838   3.429223   4.597922   5.598899   5.612685
    25  H    4.672305   3.428167   5.605861   5.593259   4.592121
    26  H    5.044815   4.138023   5.977118   6.170274   5.446133
    27  H    3.777772   2.860501   4.486044   4.485340   3.730001
    28  H    3.937677   4.777444   2.550446   2.120695   3.408362
    29  C    4.801402   5.145802   3.639108   2.545067   3.109221
    30  H    5.973509   6.034094   5.019280   3.884755   3.952514
    31  H    5.084914   5.134917   4.102923   2.822381   2.869741
    32  H    5.761910   6.191397   4.512538   3.489245   4.130384
    33  H    4.667763   5.073263   3.601193   2.781234   3.382791
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.527840   0.000000
     8  C    3.416269   1.547656   0.000000
     9  C    4.157967   2.554442   1.528069   0.000000
    10  C    3.356876   2.554672   1.528088   2.517055   0.000000
    11  C    3.820853   5.850404   6.635489   6.634853   6.640863
    12  C    4.419400   6.520810   7.011989   6.918379   6.748664
    13  O    5.239579   7.090605   7.405979   7.075637   7.166846
    14  O    4.439665   6.777532   7.229368   7.360530   6.712669
    15  H    3.372548   2.729083   3.478722   3.118682   4.524925
    16  H    3.843195   4.668142   5.428242   5.033598   6.004494
    17  H    2.137739   4.664777   5.422281   6.003161   5.022642
    18  H    1.083097   2.727007   3.474583   4.522625   3.113214
    19  H    2.664801   1.093055   2.155572   3.477902   2.771919
    20  H    3.360451   1.093006   2.155377   2.770550   3.477994
    21  H    4.312568   2.122699   1.095553   2.133874   2.133760
    22  H    3.780606   2.858660   2.175129   1.091597   2.785511
    23  H    5.045981   3.501181   2.168313   1.091743   2.755916
    24  H    4.674698   2.781767   2.179347   1.092336   3.476675
    25  H    3.391299   2.782277   2.179533   3.476786   1.092355
    26  H    4.401990   3.501295   2.168228   2.755731   1.091747
    27  H    2.837588   2.858610   2.174860   2.785082   1.091626
    28  H    4.536781   6.254525   7.034023   6.834888   7.213864
    29  C    4.411918   6.613221   7.591080   7.809827   7.561411
    30  H    5.108096   7.356775   7.635549   7.687180   6.996168
    31  H    4.154055   6.539387   7.498363   7.899374   7.300459
    32  H    5.466258   7.672569   8.606224   8.746068   8.541309
    33  H    4.500210   6.480263   7.622320   7.881553   7.775975
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.518241   0.000000
    13  O    2.417979   1.202813   0.000000
    14  O    2.395073   1.355141   2.240512   0.000000
    15  H    4.660731   5.514335   5.826115   6.291992   0.000000
    16  H    2.709344   3.662926   3.891953   4.750127   2.455233
    17  H    2.757281   3.098931   4.181186   2.683170   4.929849
    18  H    4.682816   5.151933   6.018484   4.917598   4.273017
    19  H    6.305224   7.003154   7.699965   7.086198   3.687391
    20  H    6.299666   7.116338   7.639518   7.520025   2.469924
    21  H    7.669156   8.093562   8.500296   8.285098   4.228790
    22  H    5.757920   5.946945   6.029184   6.461496   2.749034
    23  H    7.480761   7.602060   7.657954   7.995429   4.156520
    24  H    6.956073   7.405793   7.544480   7.983111   2.820617
    25  H    6.965840   7.131305   7.690964   6.931823   5.141921
    26  H    7.486088   7.446221   7.743122   7.396743   5.304593
    27  H    5.764901   5.741086   6.139654   5.683251   4.323844
    28  H    1.089452   2.076937   2.496582   3.251139   4.592931
    29  C    1.533012   2.538700   3.571976   2.836928   5.688802
    30  H    3.218744   1.879884   2.277088   0.969882   6.905012
    31  H    2.180615   2.842497   4.008256   2.616016   6.070172
    32  H    2.175774   2.774236   3.620154   3.072261   6.599865
    33  H    2.156448   3.470291   4.435083   3.875877   5.467402
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276422   0.000000
    18  H    4.926240   2.448814   0.000000
    19  H    5.456189   4.715465   2.467856   0.000000
    20  H    4.721176   5.455431   3.686285   1.754584   0.000000
    21  H    6.369949   6.362599   4.223519   2.404871   2.405434
    22  H    4.231376   5.387624   4.323573   3.852448   3.202590
    23  H    5.952609   6.798915   5.301641   4.300080   3.744723
    24  H    4.994707   6.587162   5.140140   3.755870   2.551665
    25  H    6.585954   4.979940   2.813401   2.553512   3.756780
    26  H    6.801700   5.941296   4.151008   3.745847   4.299992
    27  H    5.386054   4.221350   2.745478   3.204199   3.851819
    28  H    2.277886   3.790767   5.496277   6.829717   6.551228
    29  C    3.876844   2.949140   5.095610   6.862466   7.052787
    30  H    5.394206   3.461865   5.525074   7.696465   8.141657
    31  H    4.571941   2.362867   4.633972   6.640504   7.101363
    32  H    4.568949   3.878899   6.135936   7.946888   8.099643
    33  H    3.784858   3.416346   5.212534   6.696134   6.780866
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.055576   0.000000
    23  H    2.466188   1.763113   0.000000
    24  H    2.490077   1.765506   1.765292   0.000000
    25  H    2.490136   3.796082   3.758632   4.328247   0.000000
    26  H    2.466024   3.121696   2.543709   3.758356   1.765418
    27  H    3.055311   2.608708   3.121527   3.795597   1.765651
    28  H    8.057647   5.924926   7.685574   7.021690   7.645783
    29  C    8.564904   7.027528   8.708757   8.112503   7.697105
    30  H    8.696828   6.756352   8.213315   8.376375   7.260456
    31  H    8.446705   7.175707   8.770963   8.306071   7.303136
    32  H    9.600463   7.908250   9.615079   9.046128   8.703105
    33  H    8.530840   7.184392   8.853367   8.058684   7.880287
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.763168   0.000000
    28  H    8.027928   6.373417   0.000000
    29  C    8.484260   6.739893   2.152671   0.000000
    30  H    7.563305   5.927093   3.940640   3.753049   0.000000
    31  H    8.229770   6.484861   3.067287   1.088266   3.547422
    32  H    9.427170   7.672624   2.494271   1.091194   3.845657
    33  H    8.758465   7.063967   2.479971   1.090161   4.809813
                   31         32         33
    31  H    0.000000
    32  H    1.764292   0.000000
    33  H    1.766810   1.770165   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.74D-18
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.999465   -1.196404    0.969136
      2          6           0        1.596854   -0.854615   -0.242805
      3          6           0       -0.373383   -1.089601    1.148990
      4          6           0       -1.197567   -0.646006    0.118540
      5          6           0       -0.607540   -0.309456   -1.099214
      6          6           0        0.764497   -0.415297   -1.273478
      7          6           0        3.089352   -0.933039   -0.426740
      8          6           0        3.863458    0.355956   -0.060011
      9          6           0        3.724742    0.714773    1.418841
     10          6           0        3.474654    1.538350   -0.946480
     11          6           0       -2.698290   -0.547550    0.336035
     12          6           0       -3.112492    0.912406    0.380989
     13          8           0       -3.301927    1.545130    1.386242
     14          8           0       -3.236904    1.461286   -0.851756
     15          1           0        1.615792   -1.553364    1.784982
     16          1           0       -0.810943   -1.358118    2.102796
     17          1           0       -1.221792    0.044896   -1.915977
     18          1           0        1.198598   -0.153574   -2.230639
     19          1           0        3.310060   -1.178961   -1.468652
     20          1           0        3.483227   -1.751920    0.180680
     21          1           0        4.918355    0.129746   -0.250425
     22          1           0        2.693477    0.972860    1.666766
     23          1           0        4.350853    1.574253    1.666193
     24          1           0        4.026509   -0.115358    2.061505
     25          1           0        3.596304    1.300958   -2.005766
     26          1           0        4.098076    2.406584   -0.724159
     27          1           0        2.434212    1.826365   -0.784696
     28          1           0       -2.911214   -0.920205    1.337383
     29          6           0       -3.505151   -1.357997   -0.684885
     30          1           0       -3.465219    2.394674   -0.720115
     31          1           0       -3.324283   -1.011646   -1.700587
     32          1           0       -4.575148   -1.279853   -0.485627
     33          1           0       -3.217816   -2.407791   -0.623061
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1743027           0.2878852           0.2796173
 Leave Link  202 at Wed Sep 29 11:52:28 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       983.9721115949 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Sep 29 11:52:29 2021, MaxMem=  6442450944 cpu:               5.7 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  3.88D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep 29 11:52:30 2021, MaxMem=  6442450944 cpu:               6.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep 29 11:52:30 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer11_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep 29 11:52:31 2021, MaxMem=  6442450944 cpu:               6.7 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -655.820449911105    
 DIIS: error= 3.95D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -655.820449911105     IErMin= 1 ErrMin= 3.95D-03
 ErrMax= 3.95D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.58D-02 BMatP= 2.58D-02
 IDIUse=3 WtCom= 9.60D-01 WtEn= 3.95D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.417 Goal=   None    Shift=    0.000
 GapD=    0.417 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.27D-02 MaxDP=6.99D-01              OVMax= 2.09D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.23D-02    CP:  1.08D+00
 E= -655.848821951587     Delta-E=       -0.028372040482 Rises=F Damp=F
 DIIS: error= 1.05D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -655.848821951587     IErMin= 2 ErrMin= 1.05D-03
 ErrMax= 1.05D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.47D-04 BMatP= 2.58D-02
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.05D-02
 Coeff-Com: -0.563D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.557D-01 0.106D+01
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=3.54D-03 MaxDP=2.17D-01 DE=-2.84D-02 OVMax= 9.01D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.56D-03    CP:  1.15D+00  1.15D+00
 E= -655.849805882939     Delta-E=       -0.000983931352 Rises=F Damp=F
 DIIS: error= 9.66D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -655.849805882939     IErMin= 3 ErrMin= 9.66D-04
 ErrMax= 9.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.72D-04 BMatP= 8.47D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.66D-03
 Coeff-Com: -0.585D-01 0.456D+00 0.603D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.580D-01 0.451D+00 0.607D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=2.14D-04 MaxDP=1.45D-02 DE=-9.84D-04 OVMax= 3.61D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.30D-04    CP:  1.15D+00  1.16D+00  1.05D+00
 E= -655.850114435668     Delta-E=       -0.000308552729 Rises=F Damp=F
 DIIS: error= 2.68D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -655.850114435668     IErMin= 4 ErrMin= 2.68D-04
 ErrMax= 2.68D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.95D-05 BMatP= 4.72D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.68D-03
 Coeff-Com: -0.118D-01 0.247D-01 0.191D+00 0.796D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.118D-01 0.247D-01 0.190D+00 0.797D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=7.42D-05 MaxDP=3.59D-03 DE=-3.09D-04 OVMax= 1.18D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.94D-05    CP:  1.15D+00  1.16D+00  1.06D+00  1.25D+00
 E= -655.850138563611     Delta-E=       -0.000024127943 Rises=F Damp=F
 DIIS: error= 8.44D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -655.850138563611     IErMin= 5 ErrMin= 8.44D-05
 ErrMax= 8.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.30D-06 BMatP= 2.95D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.102D-02-0.344D-01 0.112D-01 0.338D+00 0.685D+00
 Coeff:      0.102D-02-0.344D-01 0.112D-01 0.338D+00 0.685D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=2.35D-05 MaxDP=1.05D-03 DE=-2.41D-05 OVMax= 6.25D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.02D-05    CP:  1.15D+00  1.16D+00  1.06D+00  1.31D+00  1.07D+00
 E= -655.850142847822     Delta-E=       -0.000004284211 Rises=F Damp=F
 DIIS: error= 2.65D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -655.850142847822     IErMin= 6 ErrMin= 2.65D-05
 ErrMax= 2.65D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.31D-07 BMatP= 5.30D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.175D-02-0.190D-01-0.168D-01 0.727D-01 0.326D+00 0.636D+00
 Coeff:      0.175D-02-0.190D-01-0.168D-01 0.727D-01 0.326D+00 0.636D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=8.56D-06 MaxDP=3.81D-04 DE=-4.28D-06 OVMax= 1.78D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.14D-06    CP:  1.15D+00  1.16D+00  1.06D+00  1.31D+00  1.10D+00
                    CP:  1.12D+00
 E= -655.850143422542     Delta-E=       -0.000000574719 Rises=F Damp=F
 DIIS: error= 4.47D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -655.850143422542     IErMin= 7 ErrMin= 4.47D-06
 ErrMax= 4.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.12D-08 BMatP= 7.31D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.355D-03-0.159D-02-0.602D-02-0.169D-01 0.190D-01 0.171D+00
 Coeff-Com:  0.834D+00
 Coeff:      0.355D-03-0.159D-02-0.602D-02-0.169D-01 0.190D-01 0.171D+00
 Coeff:      0.834D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=5.26D-06 MaxDP=2.47D-04 DE=-5.75D-07 OVMax= 5.34D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.42D-06    CP:  1.15D+00  1.16D+00  1.06D+00  1.32D+00  1.13D+00
                    CP:  1.16D+00  1.19D+00
 E= -655.850143465273     Delta-E=       -0.000000042731 Rises=F Damp=F
 DIIS: error= 1.28D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -655.850143465273     IErMin= 8 ErrMin= 1.28D-06
 ErrMax= 1.28D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-09 BMatP= 3.12D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.890D-04 0.147D-02 0.512D-03-0.943D-02-0.256D-01-0.409D-01
 Coeff-Com:  0.121D+00 0.953D+00
 Coeff:     -0.890D-04 0.147D-02 0.512D-03-0.943D-02-0.256D-01-0.409D-01
 Coeff:      0.121D+00 0.953D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=1.14D-06 MaxDP=4.98D-05 DE=-4.27D-08 OVMax= 2.41D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.32D-07    CP:  1.15D+00  1.16D+00  1.06D+00  1.32D+00  1.13D+00
                    CP:  1.18D+00  1.22D+00  1.10D+00
 E= -655.850143469273     Delta-E=       -0.000000004000 Rises=F Damp=F
 DIIS: error= 4.22D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -655.850143469273     IErMin= 9 ErrMin= 4.22D-07
 ErrMax= 4.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.19D-10 BMatP= 2.23D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.544D-04 0.603D-03 0.588D-03-0.210D-02-0.912D-02-0.270D-01
 Coeff-Com: -0.146D-01 0.303D+00 0.749D+00
 Coeff:     -0.544D-04 0.603D-03 0.588D-03-0.210D-02-0.912D-02-0.270D-01
 Coeff:     -0.146D-01 0.303D+00 0.749D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=3.81D-07 MaxDP=1.92D-05 DE=-4.00D-09 OVMax= 7.29D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.69D-07    CP:  1.15D+00  1.16D+00  1.06D+00  1.32D+00  1.13D+00
                    CP:  1.18D+00  1.23D+00  1.14D+00  1.03D+00
 E= -655.850143469657     Delta-E=       -0.000000000384 Rises=F Damp=F
 DIIS: error= 1.58D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -655.850143469657     IErMin=10 ErrMin= 1.58D-07
 ErrMax= 1.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.37D-11 BMatP= 3.19D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.628D-05-0.883D-05 0.133D-03 0.654D-03 0.974D-03-0.411D-02
 Coeff-Com: -0.218D-01-0.389D-01 0.264D+00 0.799D+00
 Coeff:     -0.628D-05-0.883D-05 0.133D-03 0.654D-03 0.974D-03-0.411D-02
 Coeff:     -0.218D-01-0.389D-01 0.264D+00 0.799D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=2.12D-07 MaxDP=1.24D-05 DE=-3.84D-10 OVMax= 4.62D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.19D-07    CP:  1.15D+00  1.16D+00  1.06D+00  1.32D+00  1.13D+00
                    CP:  1.18D+00  1.23D+00  1.15D+00  1.09D+00  1.05D+00
 E= -655.850143469720     Delta-E=       -0.000000000062 Rises=F Damp=F
 DIIS: error= 6.90D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -655.850143469720     IErMin=11 ErrMin= 6.90D-08
 ErrMax= 6.90D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.12D-12 BMatP= 5.37D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.462D-05-0.744D-04-0.305D-04 0.418D-03 0.146D-02 0.186D-02
 Coeff-Com: -0.355D-02-0.481D-01-0.249D-01 0.227D+00 0.846D+00
 Coeff:      0.462D-05-0.744D-04-0.305D-04 0.418D-03 0.146D-02 0.186D-02
 Coeff:     -0.355D-02-0.481D-01-0.249D-01 0.227D+00 0.846D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=5.43D-08 MaxDP=2.63D-06 DE=-6.23D-11 OVMax= 1.88D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.86D-08    CP:  1.15D+00  1.16D+00  1.06D+00  1.32D+00  1.13D+00
                    CP:  1.18D+00  1.23D+00  1.16D+00  1.10D+00  1.13D+00
                    CP:  1.04D+00
 E= -655.850143469834     Delta-E=       -0.000000000114 Rises=F Damp=F
 DIIS: error= 2.11D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -655.850143469834     IErMin=12 ErrMin= 2.11D-08
 ErrMax= 2.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.11D-13 BMatP= 6.12D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.139D-05-0.817D-05-0.203D-04-0.431D-04 0.843D-04 0.700D-03
 Coeff-Com:  0.276D-02-0.718D-03-0.442D-01-0.838D-01 0.116D+00 0.101D+01
 Coeff:      0.139D-05-0.817D-05-0.203D-04-0.431D-04 0.843D-04 0.700D-03
 Coeff:      0.276D-02-0.718D-03-0.442D-01-0.838D-01 0.116D+00 0.101D+01
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=2.50D-08 MaxDP=1.71D-06 DE=-1.14D-10 OVMax= 1.04D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.57D-08    CP:  1.15D+00  1.16D+00  1.06D+00  1.32D+00  1.13D+00
                    CP:  1.18D+00  1.23D+00  1.16D+00  1.10D+00  1.16D+00
                    CP:  1.14D+00  1.21D+00
 E= -655.850143469891     Delta-E=       -0.000000000057 Rises=F Damp=F
 DIIS: error= 1.09D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -655.850143469891     IErMin=13 ErrMin= 1.09D-08
 ErrMax= 1.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-13 BMatP= 7.11D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.312D-06 0.863D-05 0.103D-06-0.706D-04-0.184D-03-0.129D-03
 Coeff-Com:  0.118D-02 0.707D-02-0.746D-02-0.534D-01-0.914D-01 0.256D+00
 Coeff-Com:  0.889D+00
 Coeff:     -0.312D-06 0.863D-05 0.103D-06-0.706D-04-0.184D-03-0.129D-03
 Coeff:      0.118D-02 0.707D-02-0.746D-02-0.534D-01-0.914D-01 0.256D+00
 Coeff:      0.889D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=1.39D-08 MaxDP=7.59D-07 DE=-5.66D-11 OVMax= 4.68D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.56D-09    CP:  1.15D+00  1.16D+00  1.06D+00  1.32D+00  1.13D+00
                    CP:  1.18D+00  1.23D+00  1.16D+00  1.10D+00  1.17D+00
                    CP:  1.17D+00  1.33D+00  1.20D+00
 E= -655.850143469820     Delta-E=        0.000000000071 Rises=F Damp=F
 DIIS: error= 4.12D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -655.850143469891     IErMin=14 ErrMin= 4.12D-09
 ErrMax= 4.12D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-14 BMatP= 1.19D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.294D-06 0.318D-05 0.332D-05-0.870D-05-0.558D-04-0.135D-03
 Coeff-Com: -0.201D-03 0.169D-02 0.530D-02 0.214D-02-0.361D-01-0.112D+00
 Coeff-Com:  0.166D+00 0.974D+00
 Coeff:     -0.294D-06 0.318D-05 0.332D-05-0.870D-05-0.558D-04-0.135D-03
 Coeff:     -0.201D-03 0.169D-02 0.530D-02 0.214D-02-0.361D-01-0.112D+00
 Coeff:      0.166D+00 0.974D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=5.23D-09 MaxDP=2.17D-07 DE= 7.09D-11 OVMax= 2.27D-07

 SCF Done:  E(RM11) =  -655.850143470     A.U. after   14 cycles
            NFock= 14  Conv=0.52D-08     -V/T= 2.0120
 KE= 6.480724510469D+02 PE=-3.489519100565D+03 EE= 1.201624394453D+03
 Leave Link  502 at Wed Sep 29 12:01:35 2021, MaxMem=  6442450944 cpu:            4342.0 elap:             543.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.65005654D+02

 Leave Link  801 at Wed Sep 29 12:01:36 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10031 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 3.39D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 1.95D-01 7.20D-02.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 3.75D-02 6.86D-02.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 5.04D-03 1.85D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 5.46D-04 4.85D-03.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 5.67D-05 8.49D-04.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 3.94D-06 2.80D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 1.96D-07 5.04D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 6.37D-09 9.93D-06.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 2.00D-10 2.07D-06.
     11 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 7.58D-12 3.38D-07.
      7 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 2.33D-13 5.97D-08.
      2 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 3.41D-14 1.71D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   130 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.207480D+03
      2 -0.821376D+00  0.135538D+03
      3 -0.797638D+00 -0.648106D+01  0.154302D+03
 Isotropic polarizability for W=    0.088559      165.77 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.163691D+03  0.545095D+02 -0.249489D+01
      2  -0.877697D+02 -0.313720D+02  0.168822D+02
      3  -0.759210D+02 -0.231375D+02 -0.143873D+02
      4  -0.245596D+02  0.730082D+02 -0.263389D+02
      5  -0.424399D+01 -0.289797D+02  0.980333D+02
      6  -0.113521D+02  0.143783D+02 -0.266387D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.321401D+01 -0.820438D+01  0.219824D+02
      2   0.110868D+02 -0.927010D+01  0.454387D+02
      3  -0.116603D+03 -0.371175D+02  0.123996D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.264074D+01 -0.250390D+01  0.350129D+01
      2   0.174910D+01 -0.149868D+02  0.173954D+03
      3  -0.790691D+02 -0.160778D+03  0.176275D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.904586D+00 -0.814963D+00  0.142091D+02
      2  -0.814963D+00  0.846113D+00 -0.433241D+00
      3   0.142091D+02 -0.433241D+00 -0.183517D+01
 OR G Eigenvalues:   -14.7436     0.7880    13.8711  Iso=     0.0282
 Eigenvectors:
   (1)  -0.672590  -0.014599   0.739871
   (2)   0.040916   0.997542   0.056878
   (3)   0.738883  -0.068528   0.670340
 w=    0.088559 a.u., Optical Rotation Beta=      0.0282 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =        6.92 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 6.69D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.06D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 3.65D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 5.88D-02 5.24D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 3.03D-03 1.09D-02.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 9.05D-05 1.75D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 2.44D-06 1.81D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 5.20D-08 1.91D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 7.31D-10 2.02D-06.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 8.92D-12 2.65D-07.
     30 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 1.06D-13 2.55D-08.
      8 vectors produced by pass  9 Test12= 6.13D-14 2.78D-09 XBig12= 5.51D-15 6.01D-09.
      7 vectors produced by pass 10 Test12= 6.13D-14 2.78D-09 XBig12= 1.42D-14 1.22D-08.
      2 vectors produced by pass 11 Test12= 6.13D-14 2.78D-09 XBig12= 8.49D-15 7.34D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   287 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.53D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.53D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.29D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.207480D+03 -0.821376D+00 -0.797638D+00
      2  -0.821376D+00  0.135538D+03 -0.648106D+01
      3  -0.797638D+00 -0.648106D+01  0.154302D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.321401D+01 -0.820438D+01  0.219824D+02
      2   0.110868D+02 -0.927010D+01  0.454387D+02
      3  -0.116603D+03 -0.371175D+02  0.123996D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.163691D+03  0.545095D+02 -0.249489D+01
      2  -0.877697D+02 -0.313720D+02  0.168822D+02
      3  -0.759210D+02 -0.231375D+02 -0.143873D+02
      4  -0.245596D+02  0.730082D+02 -0.263389D+02
      5  -0.424399D+01 -0.289797D+02  0.980333D+02
      6  -0.113521D+02  0.143783D+02 -0.266387D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.850796D+01  0.466354D+00  0.895317D+00 -0.170035D+01  0.154695D+01
      2   0.466354D+00  0.162764D+01 -0.664848D+00  0.154695D+01 -0.328669D+01
      3   0.895317D+00 -0.664848D+00  0.251198D+01  0.165949D+01  0.213504D+01
                 6             7             8             9            10 
      1   0.165949D+01  0.117774D+02  0.145531D+01 -0.785455D+00  0.281036D+02
      2   0.213504D+01  0.145531D+01  0.188005D-01  0.140556D+01  0.172094D+01
      3   0.839680D+00 -0.785455D+00  0.140556D+01  0.835022D+00 -0.124101D+01
                11            12            13            14            15 
      1   0.172094D+01 -0.124101D+01 -0.293057D+00  0.415963D+01  0.116091D+01
      2   0.197035D+01 -0.608793D+00  0.415963D+01 -0.112786D+01 -0.124556D+00
      3  -0.608793D+00  0.275881D+01  0.116091D+01 -0.124556D+00 -0.580232D+00
                16            17            18            19            20 
      1  -0.270474D+01  0.910449D+00  0.110097D+01  0.114077D+02 -0.467223D+00
      2   0.910449D+00  0.275479D+00 -0.111617D+01 -0.467223D+00 -0.216796D+01
      3   0.110097D+01 -0.111617D+01 -0.528583D+00 -0.119008D+01  0.131768D+01
                21            22            23            24            25 
      1  -0.119008D+01 -0.384272D+01 -0.147562D+01 -0.139672D+00  0.984944D+01
      2   0.131768D+01 -0.147562D+01 -0.253004D+01  0.222560D+01 -0.150933D+01
      3  -0.136718D+01 -0.139672D+00  0.222560D+01  0.198911D+01  0.133266D+00
                26            27            28            29            30 
      1  -0.150933D+01  0.133266D+00 -0.251647D+02  0.168679D+00  0.830221D+00
      2   0.115792D+01  0.134302D+01  0.168679D+00 -0.156861D+01  0.226170D+00
      3   0.134302D+01  0.154056D+01  0.830221D+00  0.226170D+00 -0.269261D+01
                31            32            33            34            35 
      1   0.271137D+01 -0.460739D+01 -0.155651D+01  0.294673D+01 -0.144753D+01
      2  -0.460739D+01  0.717553D+00  0.484287D+00 -0.144753D+01  0.139291D+00
      3  -0.155651D+01  0.484287D+00 -0.116617D+00 -0.543202D+00 -0.970673D+00
                36            37            38            39            40 
      1  -0.543202D+00  0.824357D+01 -0.675540D+00 -0.601392D+00  0.325301D+01
      2  -0.970673D+00 -0.675540D+00 -0.813012D+00 -0.535796D+00 -0.166847D+01
      3   0.331494D+00 -0.601392D+00 -0.535796D+00 -0.261725D+01 -0.108543D+01
                41            42            43            44            45 
      1  -0.166847D+01 -0.108543D+01 -0.119110D+02  0.158937D+00  0.529319D+00
      2   0.217369D+01 -0.217111D+01  0.158937D+00 -0.114300D+01 -0.813880D+00
      3  -0.217111D+01 -0.105429D+01  0.529319D+00 -0.813880D+00 -0.128285D+01
                46            47            48            49            50 
      1  -0.103911D+02  0.520796D+00  0.801410D+00  0.515532D+01  0.206894D+01
      2   0.520796D+00  0.928614D+00  0.789793D-01  0.206894D+01  0.176620D+01
      3   0.801410D+00  0.789793D-01  0.132347D+01 -0.331718D+00 -0.272228D+01
                51            52            53            54            55 
      1  -0.331718D+00 -0.910533D+01  0.353112D+00 -0.297108D+00 -0.128743D+02
      2  -0.272228D+01  0.353112D+00 -0.138496D+01 -0.887134D+00 -0.290573D+01
      3  -0.222288D+01 -0.297108D+00 -0.887134D+00 -0.152118D+01 -0.509719D+00
                56            57            58            59            60 
      1  -0.290573D+01 -0.509719D+00 -0.649309D+01 -0.719947D+01 -0.430887D+00
      2  -0.387138D+01 -0.519406D-01 -0.719947D+01 -0.289221D-01 -0.195420D+01
      3  -0.519406D-01 -0.157410D+01 -0.430887D+00 -0.195420D+01  0.194835D+01
                61            62            63            64            65 
      1  -0.152464D+01 -0.547703D+00 -0.321356D+01 -0.477578D+01  0.445651D+01
      2  -0.547703D+00 -0.247242D+01  0.290151D+01  0.445651D+01  0.303438D+01
      3  -0.321356D+01  0.290151D+01  0.438769D+01  0.229220D+01 -0.189665D+00
                66            67            68            69            70 
      1   0.229220D+01  0.125197D+02  0.520455D+01 -0.909653D-02  0.492365D+01
      2  -0.189665D+00  0.520455D+01  0.193018D+01  0.305679D+01  0.629552D+00
      3   0.675924D+00 -0.909653D-02  0.305679D+01 -0.263692D+01  0.217170D+00
                71            72            73            74            75 
      1   0.629552D+00  0.217170D+00  0.308856D+01 -0.335410D+01 -0.245929D+01
      2   0.316935D+01 -0.249210D+01 -0.335410D+01 -0.336821D+01 -0.161112D+00
      3  -0.249210D+01 -0.395879D+01 -0.245929D+01 -0.161112D+00 -0.147038D+01
                76            77            78            79            80 
      1  -0.496838D+01 -0.441444D+01 -0.559798D-01 -0.297360D+01  0.207173D+00
      2  -0.441444D+01 -0.134087D+01 -0.406991D+01  0.207173D+00 -0.311941D+01
      3  -0.559798D-01 -0.406991D+01  0.268422D+01 -0.431354D+00  0.251895D+01
                81            82            83            84            85 
      1  -0.431354D+00  0.355910D+01 -0.381102D+01 -0.123119D+01 -0.542362D+01
      2   0.251895D+01 -0.381102D+01 -0.373776D+01  0.310367D+00 -0.374969D+01
      3   0.226672D+01 -0.123119D+01  0.310367D+00 -0.949114D+00 -0.178987D+00
                86            87            88            89            90 
      1  -0.374969D+01 -0.178987D+00 -0.176720D+01 -0.773775D+00 -0.766578D+00
      2  -0.268142D+01 -0.228599D+01 -0.773775D+00 -0.300991D+01  0.206105D+01
      3  -0.228599D+01  0.284292D+01 -0.766578D+00  0.206105D+01  0.575633D+01
                91            92            93            94            95 
      1   0.415596D+01  0.211698D+01  0.177361D+01 -0.214567D+01  0.530032D+01
      2   0.211698D+01  0.160381D+01  0.336744D+00  0.530032D+01 -0.325466D+01
      3   0.177361D+01  0.336744D+00  0.157188D+01  0.138073D+01  0.416374D+00
                96            97            98            99           100 
      1   0.138073D+01  0.286079D+01  0.182170D+01  0.247190D+01  0.446105D+00
      2   0.416374D+00  0.182170D+01  0.542755D+00  0.260911D+01 -0.884577D+00
      3   0.210917D+01  0.247190D+01  0.260911D+01 -0.328852D+01 -0.140933D+01
               101           102           103           104           105 
      1  -0.884577D+00 -0.140933D+01 -0.205037D+00 -0.567421D+00  0.106259D+01
      2   0.115970D-01  0.677249D+00 -0.567421D+00  0.206992D+01 -0.169882D+01
      3   0.677249D+00  0.423790D+00  0.106259D+01 -0.169882D+01 -0.288104D+01
               106           107           108           109           110 
      1  -0.325688D+01  0.135211D+01  0.933083D+00 -0.230509D+01  0.174082D+01
      2   0.135211D+01 -0.292687D+01 -0.302837D+01  0.174082D+01 -0.896067D+00
      3   0.933083D+00 -0.302837D+01 -0.223610D+01  0.306201D+01 -0.712260D+00
               111           112           113           114           115 
      1   0.306201D+01  0.268053D+01 -0.262780D+01 -0.152940D+01  0.545400D+01
      2  -0.712260D+00 -0.262780D+01  0.494283D+01  0.382197D+01 -0.251465D+01
      3  -0.127432D+01 -0.152940D+01  0.382197D+01  0.338891D+01 -0.291917D+01
               116           117           118           119           120 
      1  -0.251465D+01 -0.291917D+01  0.203392D+00 -0.315413D+00 -0.135740D+01
      2   0.455185D+01  0.395707D+01 -0.315413D+00  0.156546D+01 -0.132945D+00
      3   0.395707D+01  0.881007D+01 -0.135740D+01 -0.132945D+00 -0.135418D+00
               121           122           123           124           125 
      1  -0.118885D+01  0.243889D+01 -0.345902D+00 -0.328261D+01  0.869755D+00
      2   0.243889D+01 -0.584675D+01 -0.268573D+00  0.869755D+00 -0.174106D+01
      3  -0.345902D+00 -0.268573D+00 -0.119537D+00 -0.876651D+00  0.128407D+01
               126           127           128           129           130 
      1  -0.876651D+00  0.371928D+01 -0.881147D+00  0.250494D+01 -0.144422D+01
      2   0.128407D+01 -0.881147D+00  0.100486D+01 -0.909548D+00  0.768778D+00
      3  -0.384775D+01  0.250494D+01 -0.909548D+00  0.214267D+01 -0.119540D+01
               131           132           133           134           135 
      1   0.768778D+00 -0.119540D+01  0.253173D+01 -0.113391D+01  0.281223D+01
      2  -0.837688D+00  0.968897D+00 -0.113391D+01  0.170393D+01 -0.202724D+01
      3   0.968897D+00 -0.195768D+01  0.281223D+01 -0.202724D+01  0.496109D+01
               136           137           138           139           140 
      1  -0.213108D+01 -0.639094D+00  0.206187D+01 -0.395393D+00 -0.237981D+00
      2  -0.639094D+00 -0.404376D+00  0.606067D+00 -0.237981D+00 -0.622370D+00
      3   0.206187D+01  0.606067D+00 -0.212461D+01  0.672334D+00  0.867682D+00
               141           142           143           144           145 
      1   0.672334D+00  0.206662D+01  0.942033D+00 -0.259187D+01 -0.436597D+01
      2   0.867682D+00  0.942033D+00  0.162028D+01 -0.227219D+01  0.107642D+01
      3  -0.219286D+01 -0.259187D+01 -0.227219D+01  0.723139D+01 -0.208340D+01
               146           147           148           149           150 
      1   0.107642D+01 -0.208340D+01  0.157606D+01 -0.698709D+00  0.110980D+01
      2  -0.835110D+00  0.559056D+00 -0.698709D+00  0.675125D+00 -0.605604D+00
      3   0.559056D+00 -0.179713D+01  0.110980D+01 -0.605604D+00  0.176709D+01
               151           152           153           154           155 
      1  -0.239340D+01  0.826174D+00 -0.262700D+01  0.226536D+01  0.742410D+00
      2   0.826174D+00 -0.113418D+01  0.140500D+01  0.742410D+00  0.417395D+00
      3  -0.262700D+01  0.140500D+01 -0.475771D+01 -0.198167D+01 -0.326582D+00
               156           157           158           159           160 
      1  -0.198167D+01  0.394358D+00  0.280448D+00 -0.594441D+00 -0.222219D+01
      2  -0.326582D+00  0.280448D+00  0.440422D+00 -0.602532D+00 -0.801387D+00
      3   0.195740D+01 -0.594441D+00 -0.602532D+00  0.188993D+01  0.266503D+01
               161           162           163           164           165 
      1  -0.801387D+00  0.266503D+01  0.160952D+01 -0.518293D+00 -0.175786D+01
      2  -0.114071D+01  0.139420D+01 -0.518293D+00  0.950066D+00  0.498310D+00
      3   0.139420D+01 -0.713947D+01 -0.175786D+01  0.498310D+00  0.138238D+01
               166           167           168           169           170 
      1   0.810264D+00  0.157695D+01  0.574105D+00 -0.425905D+01  0.695170D+00
      2   0.157695D+01 -0.131301D+01 -0.136235D+01  0.695170D+00 -0.185279D+01
      3   0.574105D+00 -0.136235D+01 -0.144579D+01  0.286666D+01 -0.252414D+01
               171           172           173           174           175 
      1   0.286666D+01  0.314684D+01 -0.188006D+01  0.114943D+01 -0.245948D+01
      2  -0.252414D+01 -0.188006D+01  0.227909D+01 -0.401827D+00  0.318888D+01
      3  -0.644763D+01  0.114943D+01 -0.401827D+00  0.683002D+00 -0.609303D+00
               176           177           178           179           180 
      1   0.318888D+01 -0.609303D+00  0.405563D+01 -0.848478D+00  0.129544D+01
      2  -0.547568D+01  0.151490D+01 -0.848478D+00  0.263129D+01 -0.168925D+01
      3   0.151490D+01 -0.115515D+01  0.129544D+01 -0.168925D+01  0.107482D+01
               181           182           183           184           185 
      1   0.133094D+02 -0.151381D+01 -0.155106D+01 -0.300339D+01  0.119596D+01
      2  -0.151381D+01  0.111310D+01  0.183749D+00  0.119596D+01 -0.107404D+01
      3  -0.155106D+01  0.183749D+00  0.134678D+01  0.145876D+00 -0.683500D+00
               186           187           188           189           190 
      1   0.145876D+00 -0.204633D+01  0.331890D-01  0.196982D+01 -0.680801D+01
      2  -0.683500D+00  0.331890D-01 -0.727483D+00  0.909251D-01  0.403135D+00
      3  -0.554825D-01  0.196982D+01  0.909251D-01 -0.280428D+00  0.701327D+00
               191           192           193           194           195 
      1   0.403135D+00  0.701327D+00  0.339498D+00 -0.744964D+00 -0.649430D+00
      2  -0.122370D+01 -0.744627D+00 -0.744964D+00  0.935142D+00  0.851272D+00
      3  -0.744627D+00 -0.191304D+01 -0.649430D+00  0.851272D+00  0.368326D+00
               196           197           198           199           200 
      1   0.648743D+00 -0.421800D+00 -0.967598D+00  0.413737D+01  0.310464D+01
      2  -0.421800D+00  0.625866D+00  0.121377D+00  0.310464D+01  0.287170D+01
      3  -0.967598D+00  0.121377D+00  0.102754D+01  0.211498D+01  0.122130D+01
               201           202           203           204           205 
      1   0.211498D+01  0.375171D+01  0.381339D+01  0.177101D+01  0.126895D+01
      2   0.122130D+01  0.381339D+01  0.532515D+01  0.259115D+01  0.917981D+00
      3   0.183021D+01  0.177101D+01  0.259115D+01  0.199701D+01  0.156916D+01
               206           207           208           209           210 
      1   0.917981D+00  0.156916D+01  0.129854D+01 -0.729683D+00  0.167598D+01
      2   0.141634D+01  0.127366D+01 -0.729683D+00  0.123107D+01 -0.617382D+00
      3   0.127366D+01  0.136752D+01  0.167598D+01 -0.617382D+00  0.158787D+01
               211           212           213           214           215 
      1  -0.137797D+01  0.126878D+01 -0.117791D+01  0.161857D+01 -0.654444D+00
      2   0.126878D+01 -0.331477D+01  0.253084D+01 -0.654444D+00  0.204383D+01
      3  -0.117791D+01  0.253084D+01 -0.341984D+01  0.163788D+01 -0.220623D+01
               216           217           218           219           220 
      1   0.163788D+01  0.326288D+00  0.357903D+00 -0.126442D+01 -0.220848D-01
      2  -0.220623D+01  0.357903D+00  0.615041D+00 -0.106338D+00  0.416601D+00
      3   0.420352D+01 -0.126442D+01 -0.106338D+00  0.108000D+01  0.483429D-01
               221           222           223           224           225 
      1   0.416601D+00  0.483429D-01 -0.150950D+01 -0.305791D+00  0.138348D+01
      2  -0.139347D+00 -0.795745D+00 -0.305791D+00 -0.126814D+01  0.261375D+00
      3  -0.795745D+00 -0.115158D+01  0.138348D+01  0.261375D+00 -0.890699D+01
               226           227           228           229           230 
      1   0.367296D+01  0.362815D+01 -0.459973D-01  0.346726D+01  0.431810D+01
      2   0.362815D+01  0.395731D+01 -0.268753D+00  0.431810D+01  0.753104D+01
      3  -0.459973D-01 -0.268753D+00  0.960860D+00 -0.172144D+00 -0.106862D+00
               231           232           233           234           235 
      1  -0.172144D+00  0.889980D+00  0.628702D+00  0.882229D+00 -0.703408D+01
      2  -0.106862D+00  0.628702D+00  0.139804D+01  0.777908D+00  0.617703D+00
      3   0.717114D+00  0.882229D+00  0.777908D+00 -0.196329D+00  0.592049D+00
               236           237           238           239           240 
      1   0.617703D+00  0.592049D+00  0.437917D+00 -0.132783D+01  0.230276D+00
      2  -0.211022D+01  0.383054D+00 -0.132783D+01  0.143826D+01  0.224987D+00
      3   0.383054D+00 -0.107878D+01  0.230276D+00  0.224987D+00  0.116585D+00
               241           242           243           244           245 
      1   0.784972D+00 -0.439508D-01 -0.596913D+00 -0.740806D-01 -0.919032D+00
      2  -0.439508D-01  0.679405D+00  0.116087D+00 -0.919032D+00 -0.647967D+00
      3  -0.596913D+00  0.116087D+00 -0.365994D+00  0.129851D+01  0.252511D+00
               246           247           248           249           250 
      1   0.129851D+01 -0.121708D+01 -0.115704D+01  0.366667D+00  0.248002D+01
      2   0.252511D+00 -0.115704D+01 -0.895247D+00  0.124264D+01  0.377721D+00
      3  -0.118019D+01  0.366667D+00  0.124264D+01 -0.142929D+01 -0.182899D+01
               251           252           253           254           255 
      1   0.377721D+00 -0.182899D+01  0.768913D+01 -0.118265D+01 -0.207173D+01
      2   0.146575D+01 -0.132631D+01 -0.118265D+01 -0.300358D+01 -0.979478D+00
      3  -0.132631D+01  0.519594D+01 -0.207173D+01 -0.979478D+00 -0.143392D+01
               256           257           258           259           260 
      1  -0.389341D+01 -0.260747D+01 -0.121912D+01 -0.622214D+01 -0.146757D+01
      2  -0.260747D+01  0.500300D+01 -0.432707D+00 -0.146757D+01 -0.168489D+01
      3  -0.121912D+01 -0.432707D+00 -0.227521D+01 -0.199245D+01 -0.236219D+01
               261           262           263           264           265 
      1  -0.199245D+01 -0.107470D+01  0.131685D+01 -0.532124D+00  0.220387D+01
      2  -0.236219D+01  0.131685D+01 -0.151936D+01  0.385675D+00 -0.303704D+01
      3   0.288937D+01 -0.532124D+00  0.385675D+00 -0.407769D+00  0.745961D+00
               266           267           268           269           270 
      1  -0.303704D+01  0.745961D+00 -0.600071D-01 -0.209390D+00 -0.302158D+00
      2   0.814789D+01 -0.164121D+01 -0.209390D+00  0.339626D+00  0.580466D+00
      3  -0.164121D+01  0.147156D+01 -0.302158D+00  0.580466D+00 -0.665359D+00
               271           272           273           274           275 
      1  -0.807909D-01  0.517858D+00 -0.616962D+00  0.145353D+01  0.342300D+00
      2   0.517858D+00  0.537147D+00  0.190427D+00  0.342300D+00  0.409293D+00
      3  -0.616962D+00  0.190427D+00  0.362965D+00  0.337479D+00 -0.707217D+00
               276           277           278           279           280 
      1   0.337479D+00 -0.178851D+01 -0.171680D+00 -0.720927D+00 -0.147141D+02
      2  -0.707217D+00 -0.171680D+00 -0.112428D+01  0.328970D+00 -0.138687D+01
      3   0.117999D+01 -0.720927D+00  0.328970D+00 -0.613192D+01 -0.979613D-01
               281           282           283           284           285 
      1  -0.138687D+01 -0.979613D-01  0.816039D+00 -0.126494D+01  0.134534D+00
      2  -0.122054D+01 -0.137853D+00 -0.126494D+01 -0.529099D+00  0.137638D+00
      3  -0.137853D+00 -0.101641D+01  0.134534D+00  0.137638D+00  0.385067D+00
               286           287           288           289           290 
      1   0.194149D+01  0.391797D+00 -0.115673D+01 -0.809646D-01 -0.891904D+00
      2   0.391797D+00  0.547970D+00  0.148787D+00 -0.891904D+00  0.166922D+01
      3  -0.115673D+01  0.148787D+00  0.801599D-01  0.248738D+00  0.322408D+00
               291           292           293           294           295 
      1   0.248738D+00 -0.149663D+01 -0.503228D+00 -0.118765D+00  0.928344D+00
      2   0.322408D+00 -0.503228D+00 -0.920724D+01 -0.836902D+00  0.280519D+00
      3   0.432215D+00 -0.118765D+00 -0.836902D+00 -0.100065D+01  0.150071D+00
               296           297 
      1   0.280519D+00  0.150071D+00
      2   0.402323D+00 -0.863200D+00
      3  -0.863200D+00 -0.403626D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.142644D+01  0.955745D+00  0.314289D+01  0.855896D+01  0.163446D+01
      2  -0.125170D+00 -0.210430D+01  0.394404D+01 -0.329933D+01 -0.155444D+01
      3   0.147823D+02 -0.139389D+01 -0.862122D+00  0.123607D+02  0.135078D+01
                 6             7             8             9            10 
      1  -0.233014D+01  0.240670D+01  0.333212D+01 -0.979500D-01 -0.263086D+01
      2   0.860345D+00 -0.429990D+01  0.600752D+00 -0.990685D-01  0.106657D+00
      3  -0.492781D+01 -0.129645D+02 -0.231247D+01 -0.104259D+01 -0.356918D+02
                11            12            13            14            15 
      1  -0.613888D+00  0.152218D+01  0.223854D+01  0.396228D+01 -0.857599D+01
      2   0.835222D+00 -0.225326D+01  0.407194D+01  0.100467D+00 -0.435692D-01
      3  -0.215909D+01  0.110188D+01  0.100178D+02 -0.191103D+01 -0.851895D+00
                16            17            18            19            20 
      1  -0.367246D+01 -0.227031D+01 -0.340366D+01 -0.177745D+01 -0.438001D+00
      2  -0.213967D+02 -0.158623D+01 -0.377658D+01 -0.169561D+01 -0.235293D+01
      3  -0.340456D-01 -0.625550D+00 -0.771255D+00 -0.145379D+02 -0.692404D+00
                21            22            23            24            25 
      1  -0.180792D+01 -0.472338D+01  0.197673D+01  0.531722D+00 -0.926506D+00
      2   0.822074D+01 -0.293689D+01  0.131329D+01 -0.205875D+01 -0.675953D+01
      3   0.279934D+01  0.157660D+02 -0.577618D+00  0.236862D+01 -0.100485D+02
                26            27            28            29            30 
      1   0.349064D+01  0.203927D+01 -0.779535D-01  0.151190D+01 -0.232087D+01
      2  -0.716252D+00  0.110346D+01  0.295742D+01  0.742681D+00 -0.258056D+01
      3   0.338992D+01  0.180503D+01  0.295826D+02 -0.118142D+00 -0.205707D+01
                31            32            33            34            35 
      1  -0.580724D+00  0.370614D+01 -0.881521D+01 -0.510161D+01 -0.161892D+01
      2   0.368313D+01  0.139445D+00  0.278108D+01 -0.231275D+02  0.432149D+01
      3   0.635601D+01  0.510699D+01  0.125459D+01 -0.676439D+01 -0.112550D+01
                36            37            38            39            40 
      1  -0.278269D+01  0.239163D+00  0.112135D+01 -0.147814D+01  0.551315D+01
      2   0.108322D+01 -0.391793D+01 -0.159315D+01  0.406325D+01 -0.369846D+01
      3   0.160724D+01 -0.111799D+02 -0.807379D+00  0.307967D+01  0.787731D+01
                41            42            43            44            45 
      1  -0.208652D+01 -0.331921D+01  0.370269D+01  0.181914D+01 -0.159890D+01
      2  -0.211029D+01  0.645414D+00 -0.234995D+01  0.279134D+00 -0.153536D+01
      3   0.164194D+01 -0.265044D+01  0.177550D+02 -0.131253D+01 -0.402502D+01
                46            47            48            49            50 
      1   0.138097D+01 -0.194596D+01  0.988584D+00 -0.721925D+01 -0.222998D+01
      2   0.316139D+01 -0.258466D+01  0.963512D+01 -0.173055D+01  0.223529D+01
      3   0.180433D+02 -0.193294D+01  0.267555D+01  0.691040D+01 -0.183949D+01
                51            52            53            54            55 
      1  -0.246074D+01 -0.117559D+01  0.197605D+01 -0.285996D+00  0.126861D+01
      2  -0.317746D+01 -0.432873D+01 -0.113951D+01  0.234652D+01 -0.643519D+01
      3   0.269841D+01  0.140184D+02  0.445469D+00  0.239042D+01  0.236331D+02
                56            57            58            59            60 
      1   0.147843D+01 -0.355766D+00  0.353896D+01 -0.294291D+01  0.237135D+01
      2  -0.637652D+00 -0.326071D+01 -0.388613D+01 -0.117587D+02  0.870259D+01
      3   0.127200D+02  0.765626D-01  0.407020D+02  0.105784D+02  0.814656D+01
                61            62            63            64            65 
      1  -0.899149D+00  0.813168D+01  0.397138D+01 -0.163858D+01  0.673373D-02
      2  -0.203839D+02  0.992804D+01  0.150262D+02  0.110556D+02 -0.150582D-02
      3   0.348389D+01  0.101791D+02 -0.557251D+01 -0.280483D+02 -0.165925D+02
                66            67            68            69            70 
      1  -0.830838D+00 -0.266772D+01 -0.223318D+01 -0.266727D+01  0.269697D+01
      2   0.670125D+01  0.399423D+01  0.145759D+02 -0.119739D+02 -0.158550D+01
      3   0.143416D+01 -0.261262D+02 -0.953840D+01 -0.127069D+02 -0.483478D+01
                71            72            73            74            75 
      1   0.568318D+01  0.197079D+01 -0.221052D+01 -0.638765D+01  0.709736D+00
      2  -0.107602D+02 -0.165535D+02 -0.176615D+02  0.530706D+01  0.286992D+01
      3  -0.138383D+02  0.878212D+01  0.176208D+02  0.910751D+01 -0.225209D+01
                76            77            78            79            80 
      1  -0.909898D+01  0.984825D+00 -0.141386D+02  0.863464D+00 -0.674659D+01
      2   0.676425D+01 -0.948625D+01  0.114688D+02  0.236703D+01  0.103613D+02
      3   0.174120D+02  0.266184D+01  0.158229D+02 -0.286228D+01  0.123560D+02
                81            82            83            84            85 
      1   0.337099D+01  0.573399D+01  0.427263D+01  0.163723D+01  0.560159D+01
      2   0.113094D+02  0.102505D+01 -0.395576D+01 -0.232657D+01 -0.680893D+01
      3  -0.103797D+02  0.244120D+02  0.394464D+01 -0.206380D+01  0.800644D+01
                86            87            88            89            90 
      1   0.901769D+01 -0.530361D+01  0.314521D+01  0.261921D+01 -0.157145D+02
      2  -0.133542D+02  0.111205D+02 -0.628959D+01  0.785479D+01  0.197189D+02
      3   0.252741D+01  0.947368D+01  0.708538D+00  0.109613D+02 -0.833894D+01
                91            92            93            94            95 
      1   0.166479D+01 -0.969074D+00  0.140496D+01  0.420277D+00 -0.137476D+01
      2  -0.973752D+01  0.186098D+00 -0.148263D+01 -0.545165D+00 -0.398645D+01
      3  -0.257974D+01 -0.632163D+00 -0.867485D+00  0.319517D+02 -0.152860D+02
                96            97            98            99           100 
      1  -0.238967D+01  0.141223D+01  0.521311D+01 -0.400890D+00  0.154918D+01
      2  -0.932463D+01 -0.165867D+02 -0.947423D+01  0.113180D+02  0.504269D+01
      3  -0.135295D+01  0.165746D+01 -0.929941D+00  0.624084D+01  0.126419D+02
               101           102           103           104           105 
      1   0.153725D+01 -0.311322D+01  0.118283D+01 -0.195325D+01  0.133665D+01
      2  -0.346017D+01  0.739524D+01 -0.101582D+01  0.519782D+01  0.158940D+02
      3  -0.149351D+02  0.143180D+01 -0.738612D+01 -0.454317D+00 -0.404058D+01
               106           107           108           109           110 
      1  -0.350993D+01 -0.900760D+00  0.477647D+01 -0.353291D+01 -0.207354D+01
      2  -0.531518D+00  0.120148D+02  0.897084D+01 -0.810366D+01  0.223857D+01
      3   0.836070D+01 -0.968663D+01 -0.866343D+01 -0.661676D-01 -0.414723D+00
               111           112           113           114           115 
      1   0.181518D+01 -0.188495D+01  0.388746D+01 -0.617800D+01  0.735430D+00
      2   0.416657D+01 -0.197632D+01 -0.104063D+02 -0.133810D+02  0.762604D+00
      3  -0.791932D-01 -0.296103D+01  0.191149D+02  0.118884D+02 -0.101747D+02
               116           117           118           119           120 
      1   0.646875D+01 -0.104541D+02  0.334916D+01 -0.582866D+00  0.524452D+00
      2  -0.117683D+02 -0.301340D+02  0.482079D+01 -0.991494D-02  0.186327D+01
      3   0.162428D+02  0.116838D+02 -0.282248D+01  0.375542D+01 -0.280389D+01
               121           122           123           124           125 
      1  -0.111340D+01  0.490972D+01 -0.206173D+01 -0.124347D+01  0.640124D+01
      2   0.104838D+01  0.301491D+01 -0.951884D+00 -0.130008D+01 -0.358348D+01
      3   0.746864D+01 -0.163874D+02 -0.180717D+01  0.271463D+01 -0.639040D+01
               126           127           128           129           130 
      1   0.728747D+01  0.349350D+01  0.161122D+01  0.292348D+01 -0.131722D+01
      2   0.141795D+02 -0.524445D+01 -0.116585D+00 -0.619027D+00  0.823778D+00
      3   0.466479D+01 -0.614754D+01 -0.113858D+01 -0.288323D+01  0.312788D+01
               131           132           133           134           135 
      1   0.499018D+00 -0.348244D+01  0.310530D+01  0.130645D+01  0.507163D+01
      2   0.791115D-01 -0.128130D+01 -0.260595D+01 -0.538130D+00  0.205389D+01
      3   0.420417D+00  0.816477D+00 -0.317755D+01 -0.149981D+01 -0.186577D+01
               136           137           138           139           140 
      1   0.209882D+01 -0.963804D+00 -0.246753D+01  0.979068D+00  0.145363D+00
      2   0.436550D+01  0.500057D+00 -0.143309D+01  0.434114D+00 -0.218728D-02
      3   0.308228D+01  0.856033D-01 -0.229572D+01  0.166959D+01 -0.216296D+00
               141           142           143           144           145 
      1  -0.355742D+01 -0.193759D+01  0.207205D+01  0.625203D+01 -0.254203D+01
      2   0.557685D+00 -0.450796D+01 -0.510718D+00 -0.391781D+00 -0.961020D+01
      3  -0.754756D+00 -0.263758D+01  0.691517D+00  0.227393D+01  0.585296D+00
               146           147           148           149           150 
      1   0.327743D+01 -0.897042D+00  0.150608D+01 -0.150085D+01 -0.435394D+00
      2   0.168097D+01 -0.170147D+01  0.185827D+01 -0.847486D+00  0.375426D+00
      3  -0.154933D+01  0.765459D+00  0.748233D+00  0.104837D+01 -0.146440D+00
               151           152           153           154           155 
      1  -0.195068D+01  0.403252D+01 -0.322853D+01 -0.283912D+01 -0.239430D+01
      2  -0.415369D+01  0.423307D+00  0.201530D+00  0.521841D+01  0.154602D+01
      3   0.885569D+00 -0.234586D+01  0.168956D+01 -0.932729D+00 -0.101837D+01
               156           157           158           159           160 
      1   0.129961D+01 -0.836569D+00 -0.148611D+01 -0.623126D-01  0.330156D+01
      2  -0.155391D+01  0.690717D+00  0.205637D+00  0.331098D+00 -0.481684D+01
      3   0.978378D+00  0.903801D+00 -0.344613D+00  0.224512D+00  0.131241D+01
               161           162           163           164           165 
      1   0.532814D+01 -0.555124D+01 -0.135270D+01 -0.347413D+00  0.139533D+01
      2  -0.622242D+00 -0.191425D+01 -0.623935D+01  0.824885D+00  0.522662D+01
      3   0.222326D+01 -0.188670D+01 -0.949294D+00 -0.388849D+01  0.740059D+00
               166           167           168           169           170 
      1  -0.112081D-01 -0.752198D-01 -0.214870D+01  0.274501D+01  0.671746D+00
      2   0.184404D+01 -0.368913D+01 -0.499800D+01  0.500290D+01 -0.890742D+01
      3  -0.489952D+01  0.249331D+01  0.328308D+01  0.324931D+01  0.556744D+01
               171           172           173           174           175 
      1  -0.709195D+01  0.188658D+01 -0.132999D+01  0.167720D+01 -0.243483D+01
      2  -0.219342D+02  0.666636D+01 -0.242333D+01  0.465843D+01 -0.296377D+01
      3   0.428197D+01  0.251618D+01 -0.666172D+01  0.651879D-01 -0.545447D+01
               176           177           178           179           180 
      1   0.389338D+01 -0.457523D+01  0.191545D+01 -0.228796D+01  0.309459D+01
      2   0.768996D+01 -0.554389D+01  0.433238D+01 -0.699959D+01  0.473805D+01
      3   0.149740D+02 -0.421668D+01 -0.272011D+01 -0.856473D+01  0.407879D+01
               181           182           183           184           185 
      1   0.346513D+00 -0.460940D+00 -0.253854D+00  0.520031D-01  0.463426D+00
      2  -0.366148D+01  0.462181D+00  0.866363D+01 -0.152635D+00 -0.313074D+01
      3   0.641857D+01 -0.801741D+01 -0.784482D+00 -0.246273D+01  0.505255D+01
               186           187           188           189           190 
      1  -0.100647D+01 -0.560775D+00  0.980580D+00 -0.114729D+00 -0.171424D+01
      2   0.599430D-01  0.646622D+01  0.544304D+00 -0.644939D+00  0.204605D+02
      3   0.329719D+01  0.182590D+00  0.385580D+01 -0.632870D+00 -0.100965D+02
               191           192           193           194           195 
      1  -0.244278D+01  0.131736D+01 -0.159753D+01  0.307038D+00  0.282126D-01
      2  -0.322564D+01 -0.749382D+01 -0.248983D+01  0.534696D+01  0.220579D+01
      3   0.329977D+01  0.371540D+01  0.483270D+01 -0.353601D+01 -0.361684D+01
               196           197           198           199           200 
      1   0.932550D+00  0.195713D+01 -0.517651D+00  0.353777D+01  0.501505D+01
      2  -0.828621D+01  0.118169D+01  0.523043D+01  0.203961D+01 -0.863199D-01
      3   0.243247D+01 -0.219279D+01 -0.162139D+01 -0.904656D+01 -0.109116D+02
               201           202           203           204           205 
      1  -0.560120D+00  0.561464D+01  0.778744D+01  0.388793D+00  0.867970D+00
      2   0.586933D+01 -0.188792D+00  0.465264D+01  0.658571D+01  0.271566D+01
      3  -0.331707D+01 -0.103701D+02 -0.197053D+02 -0.921971D+01 -0.189360D+01
               206           207           208           209           210 
      1   0.283345D+01  0.664200D+00 -0.261611D+01  0.303932D+01 -0.190480D+01
      2   0.317608D+01  0.333996D+01  0.561304D+01 -0.106318D+01  0.467465D+01
      3  -0.541474D+01 -0.398446D+01  0.285371D+01 -0.583179D+01  0.310023D+01
               211           212           213           214           215 
      1   0.271926D+01 -0.973921D+01  0.552348D+01 -0.217767D+01  0.787107D+01
      2  -0.902394D+00  0.869569D+01 -0.129213D+02  0.159614D+01 -0.820595D+01
      3  -0.325725D+01  0.143962D+02 -0.993151D+01  0.248749D+01 -0.855945D+01
               216           217           218           219           220 
      1  -0.629312D+01  0.182220D+01 -0.671199D+00 -0.154516D+01 -0.359699D+00
      2   0.145211D+02 -0.509450D+01 -0.361835D+00  0.299683D+01 -0.648025D+00
      3   0.904616D+01 -0.204754D+01 -0.261411D+01 -0.124523D+01 -0.557068D+00
               221           222           223           224           225 
      1   0.206279D+01  0.232658D+01 -0.152345D+01  0.483829D+01  0.161743D+02
      2  -0.247711D+01 -0.460132D+01 -0.308557D+00  0.176407D+00 -0.313253D+02
      3   0.155524D+01  0.249292D+01 -0.117629D+01  0.448513D+01 -0.754858D+00
               226           227           228           229           230 
      1  -0.428277D+01 -0.438564D+01 -0.296283D+01 -0.543157D+01 -0.870806D+01
      2   0.363907D+01  0.262444D+01  0.526501D+01  0.345548D+01  0.405274D+01
      3  -0.715389D+01 -0.104148D+02  0.132209D+01 -0.700071D+01 -0.220741D+02
               231           232           233           234           235 
      1  -0.380396D+01 -0.226652D+01 -0.190287D+01 -0.752145D+00 -0.624959D+00
      2   0.355529D+01  0.358593D+01  0.316924D+01  0.142526D+00 -0.860588D+01
      3   0.272225D+00 -0.583030D+00 -0.475405D+01 -0.156496D+01 -0.214587D+02
               236           237           238           239           240 
      1   0.179410D+01  0.251106D+01  0.149718D+01 -0.153433D+01 -0.110198D+01
      2   0.197457D+01 -0.118747D+01  0.155532D+01 -0.116557D+01 -0.323349D+00
      3   0.676607D+01 -0.739257D-01  0.736811D+01 -0.713165D+01 -0.693153D+00
               241           242           243           244           245 
      1   0.205158D+01  0.502986D+00  0.160027D+00  0.148289D+00 -0.345949D+00
      2  -0.347091D+01 -0.242738D+00 -0.190642D+01 -0.495707D+01 -0.436488D+00
      3   0.122384D+01 -0.256253D+01 -0.172904D+01 -0.294962D+01 -0.200545D+01
               246           247           248           249           250 
      1  -0.679881D+00 -0.121938D+00  0.212505D+00 -0.152363D+01 -0.769616D+00
      2   0.377048D+01  0.622568D-01 -0.331501D+01  0.493943D+01  0.110378D+01
      3  -0.678917D-01 -0.990003D+00 -0.205080D+01  0.330775D+01 -0.956060D+00
               251           252           253           254           255 
      1   0.207802D+01  0.292198D+01 -0.192527D+01  0.717339D+00 -0.235474D+01
      2   0.424929D+01 -0.161044D+02  0.179676D+02  0.427506D+01  0.809421D+01
      3   0.420618D+01 -0.300098D+01 -0.157517D+02 -0.114408D+02 -0.368305D+00
               256           257           258           259           260 
      1  -0.122989D+01 -0.593602D+01 -0.579218D+01 -0.941313D+00 -0.529155D+00
      2   0.377152D+01  0.239795D+00  0.830160D+01  0.469788D+01  0.894485D+01
      3  -0.238611D+01  0.234896D+02  0.908604D+00  0.161834D+01 -0.218896D+01
               261           262           263           264           265 
      1   0.790744D+01 -0.455356D-01  0.678527D+00  0.575848D+00  0.110546D+01
      2  -0.158127D+02  0.104803D+01 -0.595664D+00  0.130018D+01 -0.102016D+01
      3  -0.650843D+01  0.283403D+01 -0.356348D+01  0.140719D+01 -0.562700D+01
               266           267           268           269           270 
      1  -0.399211D+01 -0.248064D+01 -0.192395D+00  0.512585D-01 -0.212504D+00
      2   0.399829D+01 -0.480813D+01  0.333631D+00 -0.151844D+01  0.175910D+01
      3   0.252812D+02 -0.490394D+01 -0.492275D+00  0.124772D+01  0.172418D+01
               271           272           273           274           275 
      1  -0.218857D+01 -0.788892D+00  0.442233D+00 -0.219516D+00 -0.297358D+01
      2   0.565237D+01  0.436304D+00 -0.231704D+01  0.161505D+01  0.366956D+01
      3   0.249589D+01  0.971860D+00  0.104897D+01  0.836416D+00  0.144271D+01
               276           277           278           279           280 
      1   0.196810D+01 -0.196663D+00  0.418796D+01 -0.102764D+02  0.831500D+00
      2  -0.510337D+01 -0.247196D+01 -0.234169D+01  0.245091D+02 -0.932382D+01
      3  -0.301609D+01  0.123751D+01 -0.405853D+01  0.286179D+01  0.152435D+02
               281           282           283           284           285 
      1   0.720610D+00 -0.171405D+01  0.102115D+01  0.565151D+00  0.569015D-01
      2  -0.134717D+00  0.737629D+01 -0.581237D+00 -0.132150D+01 -0.147697D+01
      3  -0.601099D+01 -0.759495D+00 -0.475460D+01 -0.239817D+00  0.477154D+00
               286           287           288           289           290 
      1  -0.193987D+01  0.875424D+00 -0.111366D+00  0.122210D+01 -0.595728D+00
      2   0.448031D+01 -0.885497D+00 -0.652423D+00 -0.833064D+00 -0.172985D+01
      3  -0.118416D+01  0.172606D+01  0.232899D+01 -0.487805D+01  0.631967D+01
               291           292           293           294           295 
      1   0.135944D+01 -0.294532D+00  0.599020D+01 -0.348478D+01  0.696151D+00
      2  -0.138198D+01 -0.828007D+00  0.339791D+01  0.358412D+01 -0.163882D+01
      3   0.281628D+00  0.367323D+01 -0.322533D+02 -0.229460D+01 -0.824266D+00
               296           297 
      1  -0.690826D+00 -0.167657D-01
      2   0.298555D+01  0.163163D+01
      3   0.784969D+00 -0.311667D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.831266D+01  0.102907D+02 -0.227151D+02 -0.165023D+01 -0.129300D+02
      2   0.229248D+01 -0.745569D+01  0.738646D+01 -0.739453D+01  0.212998D+02
      3   0.602018D+01 -0.283503D+01  0.153286D+02  0.904476D+01 -0.836974D+01
      4   0.110580D+02 -0.557096D+00  0.561657D+01  0.838623D+01 -0.669325D+01
      5  -0.142910D+02  0.500256D+01 -0.452141D+00  0.827665D+01  0.325395D+01
      6   0.411536D+01  0.421214D+01 -0.461708D+01 -0.267354D+00 -0.579519D+01
                 6             7             8             9            10 
      1   0.518042D+01  0.338078D+02 -0.309305D+01  0.116005D+02  0.465800D+02
      2  -0.116249D+02 -0.904551D+01 -0.114382D+01 -0.577658D+01 -0.217310D+02
      3   0.644449D+01 -0.247623D+02  0.423687D+01 -0.582397D+01 -0.248490D+02
      4   0.247246D+01 -0.391311D+01  0.108857D+01  0.695006D+01 -0.810043D+01
      5   0.691253D+01  0.672832D+01  0.683314D+01 -0.614191D+01 -0.692029D+01
      6   0.445156D+01  0.104529D+02 -0.314612D+01  0.734150D+01  0.213052D+01
                11            12            13            14            15 
      1   0.861992D+01 -0.190222D+01  0.146318D+02 -0.223771D+01  0.566870D+01
      2  -0.777015D+01  0.319160D+01 -0.135610D+02  0.772740D+01 -0.406818D+00
      3  -0.849765D+00 -0.128938D+01 -0.107080D+01 -0.548969D+01 -0.526188D+01
      4   0.270596D+01 -0.284354D+01  0.163368D+02 -0.597706D+01 -0.111865D+01
      5  -0.348946D+01  0.898158D+01  0.121640D+02  0.126058D+00 -0.324422D+01
      6   0.654325D+00 -0.655467D+01 -0.418848D+01  0.395886D+01  0.806301D+01
                16            17            18            19            20 
      1  -0.945018D+01  0.598881D+01 -0.206259D+02  0.889458D+01 -0.126784D+02
      2  -0.132592D+01  0.385850D+01  0.348118D+01  0.765428D+00  0.110389D+02
      3   0.107761D+02 -0.984731D+01  0.171447D+02 -0.966001D+01  0.163953D+01
      4   0.136621D+02 -0.535482D+00 -0.316066D+01 -0.987853D+01  0.102951D+00
      5  -0.163124D+02 -0.386119D+01 -0.204882D+01  0.150743D+02  0.179314D+01
      6  -0.506034D+01  0.232485D+01 -0.443168D+01 -0.115723D+01 -0.515845D+01
                21            22            23            24            25 
      1   0.212974D+02  0.374337D+01 -0.108793D+02 -0.622481D+01 -0.153687D+02
      2  -0.113214D+02  0.461313D+01  0.167652D+02 -0.935795D+01  0.929960D+00
      3  -0.997597D+01 -0.835649D+01 -0.588598D+01  0.155828D+02  0.144388D+02
      4   0.249723D+01  0.130198D+02  0.628674D+01 -0.240092D+01 -0.375355D+01
      5  -0.109620D+02 -0.146036D+01 -0.142471D+01 -0.136253D+01  0.954030D+01
      6   0.600036D+01 -0.705386D+00 -0.611874D+01  0.502983D+01 -0.966583D+01
                26            27            28            29            30 
      1  -0.466454D+01  0.990454D+01  0.121738D+02 -0.238231D+01  0.216720D+01
      2  -0.288569D+01 -0.882878D+00 -0.237361D+01  0.575218D+01  0.133449D+00
      3   0.755024D+01 -0.902166D+01 -0.980017D+01 -0.336987D+01 -0.230065D+01
      4  -0.133348D+01 -0.604054D+01  0.186568D+02  0.179310D+01 -0.185066D+01
      5  -0.575421D+01  0.747882D+01  0.364917D+01 -0.147439D+01  0.729940D+01
      6   0.850291D+00  0.833256D+01  0.270046D+01 -0.579610D+00  0.482077D+01
                31            32            33            34            35 
      1  -0.300983D+01 -0.190986D+01  0.752424D+01 -0.829715D+01  0.917750D+01
      2   0.800137D+01  0.500131D+01 -0.208402D+01  0.165574D+01  0.209263D+01
      3  -0.499154D+01 -0.309145D+01 -0.544022D+01  0.664141D+01 -0.112701D+02
      4   0.131620D+02  0.847611D+00  0.145829D+01  0.106814D+02  0.457092D+01
      5   0.125176D+02  0.299103D+00  0.124376D+01 -0.189988D+02  0.354804D+01
      6  -0.104555D+01  0.351353D+01  0.603157D+01 -0.950050D+00  0.135305D+01
                36            37            38            39            40 
      1  -0.195704D+02 -0.310609D+01  0.456281D+01 -0.240274D+02 -0.843450D+01
      2   0.374614D+01 -0.109544D+01 -0.173146D+01  0.692305D+01 -0.181293D+01
      3   0.158242D+02  0.420153D+01 -0.283135D+01  0.171044D+02  0.102474D+02
      4   0.238940D+01  0.444935D+01 -0.118410D+01  0.283330D+01  0.452856D+01
      5   0.153044D+01 -0.182467D+02  0.263556D+01 -0.174007D+01  0.121242D+01
      6  -0.688736D+01  0.287689D+01  0.492632D+01  0.453694D+01  0.315925D+01
                41            42            43            44            45 
      1  -0.533275D+01 -0.593859D+01  0.204163D+02 -0.871303D+01  0.772471D+01
      2   0.630322D+01  0.413279D+00  0.575001D+00  0.203551D+01 -0.145288D+01
      3  -0.970467D+00  0.552531D+01 -0.209913D+02  0.667752D+01 -0.627183D+01
      4  -0.217588D+00  0.336915D+01  0.308985D+01  0.379485D+01  0.594873D+01
      5   0.147782D+01  0.774598D+01  0.113142D+02  0.526837D+01 -0.631301D+01
      6   0.287935D+01  0.784689D+01  0.105210D+02  0.196709D+01  0.107996D+02
                46            47            48            49            50 
      1   0.219415D+01 -0.788114D+01  0.208015D+02  0.119858D+02 -0.164784D+01
      2   0.580545D+01  0.353616D+01 -0.769299D+01 -0.297427D+01  0.285047D+01
      3  -0.799960D+01  0.434498D+01 -0.131085D+02 -0.901151D+01 -0.120262D+01
      4  -0.244896D+01  0.319805D+01 -0.149965D+01  0.878386D+01  0.466523D+01
      5   0.202471D+02 -0.139189D+00 -0.807593D+01 -0.854489D+01 -0.383406D+01
      6   0.131411D+00 -0.377218D+01  0.140459D+01 -0.243713D+01  0.411742D+01
                51            52            53            54            55 
      1  -0.174720D+02 -0.199634D+02 -0.978171D+01  0.629222D+01 -0.258860D+02
      2   0.240068D+01  0.248102D+01  0.302564D+01  0.426058D+01  0.120470D+02
      3   0.150713D+02  0.174824D+02  0.675607D+01 -0.105528D+02  0.138390D+02
      4  -0.436149D+01  0.329563D+01 -0.235937D+01 -0.481757D+01 -0.854710D+01
      5  -0.324320D+01  0.941491D+01 -0.402902D+01  0.595091D+01 -0.577488D+01
      6   0.126367D+02 -0.603426D+01  0.528878D+01  0.131044D+02  0.139271D+01
                56            57            58            59            60 
      1  -0.120365D+02 -0.566992D+01 -0.328389D+02 -0.261621D+02  0.776139D+00
      2   0.876205D+01  0.388611D+00  0.236356D+02  0.684822D+01  0.613077D+01
      3   0.327449D+01  0.528131D+01  0.920334D+01  0.193138D+02 -0.690691D+01
      4  -0.279204D+02  0.336999D+00 -0.481518D+02  0.100958D+02 -0.149189D+02
      5  -0.150141D+00 -0.126216D+02 -0.174009D+01 -0.147390D+02  0.156980D+02
      6   0.431550D+00  0.233996D+01  0.588208D+00  0.421170D+01 -0.545254D+01
                61            62            63            64            65 
      1  -0.137061D+02  0.627108D+00 -0.377260D+01 -0.896941D+02  0.300347D+02
      2  -0.126676D+01  0.761228D+01  0.615086D+01  0.484592D+02 -0.137779D+02
      3   0.149728D+02 -0.823939D+01 -0.237826D+01  0.412349D+02 -0.162568D+02
      4  -0.869444D+00 -0.186709D+02  0.261578D+02  0.284975D+02  0.234964D+02
      5  -0.246597D+02  0.226589D+02  0.337401D+02  0.229697D+02 -0.200409D+01
      6   0.106095D+02 -0.631944D+01 -0.109288D+02  0.835535D+00 -0.241577D+01
                66            67            68            69            70 
      1   0.226130D+02  0.626700D+02  0.253074D+02 -0.696107D+01  0.329660D+02
      2  -0.126616D+02 -0.292397D+02 -0.122209D+02  0.742191D+01 -0.137231D+02
      3  -0.995133D+01 -0.334303D+02 -0.130865D+02 -0.460845D+00 -0.192428D+02
      4  -0.100391D+01  0.319202D+02  0.111893D+02  0.220598D+02  0.248270D+01
      5   0.638888D+01 -0.115053D+01  0.235814D+02 -0.214297D+02  0.696556D+00
      6   0.149202D+01  0.113306D+01  0.565951D+01 -0.463522D+01 -0.272721D+01
                71            72            73            74            75 
      1  -0.394239D+01  0.397891D+01  0.368377D+02 -0.225493D+02 -0.184874D+02
      2   0.731810D+01 -0.193176D+01 -0.195033D+02  0.479226D+01  0.105963D+02
      3  -0.337572D+01 -0.204715D+01 -0.173343D+02  0.177571D+02  0.789116D+01
      4   0.212835D+02 -0.178496D+02 -0.211929D+02 -0.315845D+02 -0.567708D+01
      5  -0.185762D+02 -0.306424D+02 -0.108688D+02 -0.814801D+01 -0.181133D+02
      6  -0.545674D+01 -0.467885D+01 -0.146776D+02 -0.936006D+01 -0.866642D+00
                76            77            78            79            80 
      1  -0.307330D+02 -0.265556D+02 -0.122118D+01 -0.226402D+02  0.109087D+01
      2   0.670415D+01  0.170759D+02 -0.121253D+02  0.116601D+02 -0.121132D+02
      3   0.240289D+02  0.947975D+01  0.133465D+02  0.109801D+02  0.110223D+02
      4  -0.407725D+02 -0.144435D+02 -0.348251D+02 -0.186240D+01 -0.259210D+02
      5  -0.875407D+01 -0.416980D+02  0.217219D+02 -0.109465D+02  0.206909D+02
      6  -0.143296D+02 -0.647330D+01 -0.100973D+02  0.178625D+01 -0.802368D+01
                81            82            83            84            85 
      1  -0.106839D+02  0.373975D+02 -0.207645D+02 -0.109930D+02 -0.298388D+02
      2   0.164908D+01 -0.354700D+02 -0.636587D+00  0.496564D+01  0.139380D+01
      3   0.903483D+01 -0.192746D+01  0.214011D+02  0.602734D+01  0.284450D+02
      4   0.179341D+02 -0.172216D+02 -0.379283D+02 -0.277007D+00 -0.390219D+02
      5   0.121944D+02 -0.138805D+02  0.592864D+01 -0.560769D+01  0.354279D+01
      6   0.132761D+02  0.148318D+01  0.438703D+01 -0.302561D+01  0.300188D+01
                86            87            88            89            90 
      1  -0.257503D+02  0.822078D+01 -0.121134D+02  0.340975D+01 -0.369578D+00
      2  -0.786027D+00 -0.535181D+01  0.709449D+00 -0.688608D+01  0.237113D+02
      3   0.265363D+02 -0.286897D+01  0.114039D+02  0.347633D+01 -0.233417D+02
      4  -0.317978D+02 -0.144059D+02 -0.940646D+01 -0.213418D+02  0.119019D+02
      5  -0.122713D+02  0.211060D+02 -0.433980D+01  0.151677D+02  0.461503D+02
      6  -0.568194D+01  0.105932D+02 -0.138816D+01  0.101358D+02  0.977245D+01
                91            92            93            94            95 
      1   0.803551D+01 -0.522338D+01 -0.709094D+01 -0.622542D+01 -0.157899D+02
      2  -0.569709D+01  0.111424D-01  0.162559D+01  0.551162D+01  0.842135D+01
      3  -0.233842D+01  0.521224D+01  0.546535D+01  0.713806D+00  0.736854D+01
      4  -0.164372D+02 -0.142434D+02 -0.455587D+01 -0.339060D+02  0.148738D+02
      5  -0.163996D+02 -0.285944D+01 -0.103365D+02 -0.993861D+01 -0.513627D+01
      6  -0.468951D-03 -0.485414D+01 -0.603889D+01 -0.146814D+01  0.166681D+01
                96            97            98            99           100 
      1  -0.689107D+01 -0.166724D+02 -0.766134D+01 -0.479019D+01  0.673793D+01
      2   0.258073D+01  0.301366D+01 -0.385552D+00  0.606285D+01 -0.246431D+01
      3   0.431034D+01  0.136587D+02  0.804689D+01 -0.127267D+01 -0.427363D+01
      4  -0.511547D+01 -0.172624D+02 -0.613690D+01 -0.211684D+02  0.792642D+01
      5  -0.180733D+02 -0.194715D+02 -0.197994D+02  0.219843D+02  0.107965D+02
      6  -0.302998D+01 -0.885646D+01 -0.496144D+01  0.775282D+01 -0.537400D+01
               101           102           103           104           105 
      1   0.185449D+01  0.438627D+01  0.132856D+02  0.609692D+01  0.197758D+01
      2   0.290295D-01 -0.300814D+01 -0.112451D+02 -0.233799D+01  0.345409D+01
      3  -0.188352D+01 -0.137813D+01 -0.204050D+01 -0.375893D+01 -0.543167D+01
      4   0.996763D+00 -0.351821D+01 -0.289061D+01 -0.670784D+01  0.952237D+01
      5  -0.458677D+01 -0.303934D+01 -0.107242D+02  0.115025D+02  0.308687D+02
      6   0.318471D+01  0.660446D+01  0.516434D+01 -0.102894D+02 -0.185789D+02
               106           107           108           109           110 
      1   0.141127D+02  0.810920D+00  0.139018D+01  0.181160D+02 -0.135240D+02
      2  -0.207097D+01 -0.724043D+01  0.201692D+01 -0.107087D+02  0.604120D+01
      3  -0.120417D+02  0.642951D+01 -0.340710D+01 -0.740728D+01  0.748281D+01
      4  -0.976700D+01  0.203463D+02  0.221599D+02 -0.186665D+02  0.172284D+02
      5  -0.188111D+02  0.228023D+02  0.181984D+02 -0.270040D+02  0.900300D+01
      6   0.118021D+02 -0.213108D+02 -0.136590D+02  0.111452D+02 -0.266809D+01
               111           112           113           114           115 
      1  -0.208169D+02 -0.129044D+02 -0.822430D+01 -0.684440D+01 -0.243517D+02
      2   0.131903D+02  0.324580D+01  0.173983D+02  0.496441D+01  0.148814D+02
      3   0.762654D+01  0.965858D+01 -0.917401D+01  0.187999D+01  0.947032D+01
      4   0.118923D+02  0.271522D+02 -0.340245D+02 -0.236195D+02  0.222723D+02
      5   0.204414D+02  0.169407D+02 -0.257620D+02 -0.276990D+02  0.343926D+02
      6  -0.485084D+01 -0.780340D+01  0.240438D+02  0.265253D+02 -0.131583D+02
               116           117           118           119           120 
      1  -0.600612D+01 -0.690447D+01  0.775024D+01 -0.395054D+01  0.114788D+02
      2   0.668553D+01 -0.139233D+02 -0.653219D+01  0.736465D+01 -0.759843D+01
      3  -0.679412D+00  0.208278D+02 -0.121805D+01 -0.341412D+01 -0.388037D+01
      4  -0.300018D+02 -0.247061D+02  0.218964D+00 -0.508988D+01 -0.345732D+01
      5  -0.276123D+02 -0.646126D+02  0.103868D+02  0.747283D+00  0.753568D+01
      6   0.269752D+02  0.364339D+02 -0.397832D+01 -0.142812D+01 -0.139444D+01
               121           122           123           124           125 
      1   0.486079D+00 -0.328585D+01  0.327095D+01  0.152139D+02  0.181105D+01
      2   0.781849D+01 -0.141833D+02 -0.113784D+01 -0.832668D+01 -0.306643D+01
      3  -0.830457D+01  0.174692D+02 -0.213311D+01 -0.688724D+01  0.125537D+01
      4  -0.131430D+02  0.395054D+02  0.126759D+01 -0.909968D+01  0.119016D+02
      5   0.648513D+00  0.101226D+01 -0.188413D+01  0.159965D+02 -0.970358D+01
      6  -0.337572D+01  0.240572D+01  0.726636D+01 -0.401922D+01  0.131971D+02
               126           127           128           129           130 
      1  -0.211418D+01  0.348122D+01  0.273461D+01 -0.824782D+00  0.683223D+00
      2  -0.675161D+01 -0.303270D+01 -0.311744D+01 -0.207196D+01  0.677555D-01
      3   0.886578D+01 -0.448526D+00  0.382830D+00  0.289675D+01 -0.750978D+00
      4  -0.918999D+01 -0.938551D+01  0.755973D+01 -0.753489D+01  0.573555D+01
      5   0.284003D+02  0.158291D+02 -0.499179D+01  0.138103D+02 -0.667757D+01
      6  -0.163411D+02 -0.808670D+01  0.575139D+01 -0.810858D+01  0.560340D+01
               131           132           133           134           135 
      1  -0.351569D+01  0.526346D+01 -0.375019D+01  0.811117D+01 -0.142505D+02
      2   0.197888D+01 -0.773639D+00 -0.210430D+01 -0.447014D+01 -0.221744D+01
      3   0.153681D+01 -0.448982D+01  0.585448D+01 -0.364103D+01  0.164680D+02
      4  -0.559596D+01  0.588152D+01 -0.812294D+01  0.742328D+01 -0.103495D+02
      5   0.541397D+01 -0.791192D+01  0.151710D+02 -0.738012D+01  0.204241D+02
      6  -0.654649D+01  0.876017D+01 -0.102362D+02  0.118817D+02 -0.187589D+02
               136           137           138           139           140 
      1  -0.299703D+01 -0.181490D+01  0.529870D+01 -0.244109D+01 -0.480216D+01
      2  -0.251389D+01  0.599797D+00  0.259832D+01 -0.329512D+00  0.109839D+01
      3   0.551092D+01  0.121511D+01 -0.789701D+01  0.277060D+01  0.370377D+01
      4   0.536550D+01  0.352965D+01 -0.534943D+01  0.233439D+01  0.187508D+01
      5  -0.863488D+01 -0.330007D+01  0.110504D+02 -0.303534D+01 -0.269374D+01
      6  -0.598833D+01 -0.356665D+01  0.616827D+01 -0.312856D+01 -0.571517D+01
               141           142           143           144           145 
      1   0.823806D+01  0.731962D+01  0.104995D+02 -0.286017D+02  0.495197D+01
      2  -0.185936D+00  0.192663D+01 -0.330890D+01 -0.548072D+01 -0.639217D+01
      3  -0.805212D+01 -0.924625D+01 -0.719061D+01  0.340824D+02  0.144020D+01
      4  -0.292651D+01 -0.560985D+01 -0.495903D+01  0.768145D+01 -0.133347D+01
      5   0.351028D+01  0.102438D+02  0.467843D+01 -0.159994D+02  0.124328D+02
      6   0.906289D+01  0.836582D+01  0.125677D+02 -0.234128D+02 -0.421286D+00
               146           147           148           149           150 
      1  -0.182782D-01 -0.121017D+01  0.688704D+00 -0.121805D+01  0.484412D+01
      2   0.803432D+00 -0.462352D+01  0.193618D+01 -0.852343D+00  0.253052D+01
      3  -0.785154D+00  0.583369D+01 -0.262488D+01  0.207039D+01 -0.737464D+01
      4   0.398992D+01 -0.747519D+00  0.316461D+01 -0.318119D+01  0.123233D+01
      5  -0.281419D+01  0.101873D+02 -0.437003D+01  0.337707D+01 -0.577011D+01
      6   0.203949D+01 -0.590641D+00  0.934014D+00 -0.290181D+01  0.202704D+01
               151           152           153           154           155 
      1  -0.372638D+01  0.395297D+01 -0.130044D+02  0.432108D+00  0.105494D+01
      2  -0.604144D+01  0.140658D+01 -0.952080D+01 -0.568087D+01 -0.159639D+01
      3   0.976782D+01 -0.535955D+01  0.225252D+02  0.524876D+01  0.541449D+00
      4  -0.102276D+01  0.249811D+01 -0.175765D+01  0.174712D+01  0.283671D+01
      5   0.126288D+02 -0.399421D+01  0.158415D+02 -0.987206D+01 -0.239695D+01
      6  -0.155702D+01  0.463570D+01 -0.284820D+01  0.582967D+00 -0.182446D+01
               156           157           158           159           160 
      1   0.230362D+01 -0.172613D+01 -0.255246D+01  0.630866D+01  0.350543D+01
      2   0.551473D+01 -0.810596D+00 -0.104342D+01  0.296979D+01  0.718179D+01
      3  -0.781835D+01  0.253672D+01  0.359589D+01 -0.927845D+01 -0.106872D+02
      4  -0.519256D+00  0.195411D+01  0.127010D+01 -0.161727D+01 -0.174720D+01
      5   0.118211D+02 -0.249445D+01 -0.290565D+01  0.366275D+01  0.125869D+02
      6  -0.141079D+01 -0.130035D+01 -0.267520D+01  0.204096D+01  0.169197D+00
               161           162           163           164           165 
      1   0.321001D+01 -0.224757D+02  0.862648D+01 -0.277382D+01 -0.888390D+01
      2   0.227917D+01 -0.159585D+02 -0.732124D+01  0.825352D+00  0.621043D+01
      3  -0.548918D+01  0.384342D+02 -0.130523D+01  0.194847D+01  0.267347D+01
      4  -0.339914D+01  0.184327D+01 -0.672991D+01  0.101397D+02  0.705021D+01
      5   0.389796D+01 -0.204858D+02 -0.159019D+02  0.512809D+01  0.157053D+02
      6   0.517578D+01  0.344631D+00  0.487821D+01 -0.202138D+01 -0.351098D+01
               166           167           168           169           170 
      1   0.373860D+01  0.133330D+01 -0.224305D+01 -0.148907D+02 -0.425224D+01
      2  -0.304192D+01  0.648221D+00  0.119745D+01  0.126471D+02  0.805365D+00
      3  -0.696680D+00 -0.198152D+01  0.104560D+01  0.224365D+01  0.344688D+01
      4   0.124203D+02 -0.109028D+02 -0.100516D+02  0.121193D+02 -0.143815D+02
      5   0.555648D+01 -0.987347D+01 -0.103823D+02  0.265827D+02 -0.184775D+02
      6  -0.368169D+01  0.681100D+01  0.951567D+01 -0.904392D+01  0.117420D+02
               171           172           173           174           175 
      1  -0.331857D+01  0.187237D+02 -0.100724D+02  0.660003D+01 -0.102116D+02
      2  -0.108242D+02 -0.344174D+01 -0.299488D+00 -0.177668D+01 -0.401858D+01
      3   0.141428D+02 -0.152820D+02  0.103719D+02 -0.482336D+01  0.142301D+02
      4  -0.217597D+02 -0.219551D+02  0.242652D+02 -0.581101D+01  0.318056D+02
      5  -0.479128D+02  0.941002D+01 -0.369119D+01  0.732468D+01 -0.531063D+01
      6   0.190286D+02 -0.320948D+01  0.629900D+00 -0.175111D+01  0.222253D+01
               176           177           178           179           180 
      1   0.386460D+01 -0.568148D+00  0.168025D+02 -0.117009D+00  0.268243D+01
      2   0.172108D+02 -0.426515D+01 -0.447624D+01 -0.678657D+01  0.433296D+00
      3  -0.210754D+02  0.483330D+01 -0.123263D+02  0.690358D+01 -0.311572D+01
      4  -0.453441D+02  0.123670D+02 -0.137204D+02  0.216030D+02 -0.145197D+02
      5   0.112090D+02 -0.881942D+01  0.109576D+02 -0.127222D+02  0.837289D+01
      6  -0.479074D+01  0.541627D+01 -0.455280D+01  0.657364D+01 -0.435015D+01
               181           182           183           184           185 
      1   0.143627D+03 -0.171777D+02 -0.162636D+02 -0.254006D+02  0.145499D+02
      2  -0.729800D+02  0.888707D+01  0.808038D+01  0.126784D+02 -0.570839D+01
      3  -0.706469D+02  0.829061D+01  0.818322D+01  0.127222D+02 -0.884152D+01
      4  -0.132449D+02  0.130013D+02  0.148351D+01  0.171591D+02 -0.892396D+01
      5  -0.188025D+02  0.211215D+01  0.158412D+02  0.230155D+01 -0.618182D+01
      6   0.640840D+00 -0.105655D+01  0.122886D+01 -0.123185D+01 -0.127584D+00
               186           187           188           189           190 
      1   0.308603D+01 -0.184771D+02  0.232543D+01  0.171326D+02 -0.465875D+02
      2  -0.213772D+01  0.103426D+02 -0.207396D+01 -0.103217D+02  0.230498D+02
      3  -0.948307D+00  0.813453D+01 -0.251478D+00 -0.681088D+01  0.235377D+02
      4  -0.571663D+01  0.662290D+00 -0.528198D+01 -0.176720D+00 -0.474222D+01
      5  -0.561172D+00  0.230925D+02 -0.503451D+00 -0.449808D+01 -0.111814D+02
      6   0.226273D+01  0.339082D+00  0.245258D+01  0.693615D+00  0.586598D+01
               191           192           193           194           195 
      1   0.939147D+01  0.130699D+02  0.776276D+01 -0.852076D+01 -0.612428D+01
      2  -0.547937D+01 -0.179303D+01 -0.374566D+01  0.524335D+01  0.398119D+01
      3  -0.391209D+01 -0.112768D+02 -0.401710D+01  0.327741D+01  0.214309D+01
      4  -0.260164D+01 -0.122030D+01  0.146571D+01  0.352955D+01  0.533596D+01
      5  -0.118080D+01 -0.723674D+01 -0.497116D-01  0.429251D+01 -0.207081D+00
      6  -0.498117D+01 -0.620089D+01 -0.247073D+01  0.436446D+01  0.510172D+01
               196           197           198           199           200 
      1   0.932336D+01 -0.381140D+01 -0.105785D+02  0.328109D+02  0.209796D+02
      2  -0.158003D+01  0.202622D+01  0.148187D+01 -0.140304D+02 -0.559375D+01
      3  -0.774334D+01  0.178518D+01  0.909660D+01 -0.187806D+02 -0.153858D+02
      4   0.210634D+00  0.346589D+01 -0.150215D+01  0.331223D+02  0.305529D+02
      5   0.553891D+00 -0.131083D+01  0.261470D+01  0.261039D+02  0.163975D+02
      6  -0.367716D+01  0.415290D+01  0.236657D+01  0.122199D+02  0.109504D+02
               201           202           203           204           205 
      1   0.129199D+02  0.239761D+02  0.147799D+02  0.515308D+01  0.722109D+01
      2  -0.905915D+01 -0.568035D+01  0.337413D+01 -0.230220D+01 -0.619203D+01
      3  -0.386077D+01 -0.182958D+02 -0.181540D+02 -0.285088D+01 -0.102907D+01
      4   0.129197D+02  0.389544D+02  0.486691D+02  0.228529D+02  0.989624D+01
      5   0.210742D+02  0.227232D+02  0.269269D+02  0.199992D+02  0.181259D+02
      6   0.763167D+01  0.148152D+02  0.209348D+02  0.144928D+02  0.738082D+01
               206           207           208           209           210 
      1   0.194779D+01  0.695994D+01  0.106045D+02 -0.693745D+01  0.125805D+02
      2  -0.177955D+01 -0.553682D+01 -0.951641D+01  0.596145D+01 -0.112026D+02
      3  -0.168234D+00 -0.142312D+01 -0.108812D+01  0.975996D+00 -0.137797D+01
      4   0.126640D+02  0.123521D+02 -0.742554D+01  0.120667D+02 -0.543061D+01
      5   0.127770D+02  0.148905D+02  0.177168D+02 -0.790352D+01  0.187612D+02
      6   0.105116D+02  0.783764D+01 -0.173025D+01  0.417471D+01 -0.165752D+01
               211           212           213           214           215 
      1  -0.111670D+02  0.649630D+01 -0.316847D+01  0.105022D+02 -0.110126D+01
      2   0.101145D+02 -0.900395D+01  0.137275D+02 -0.116068D+02  0.973593D+01
      3   0.105248D+01  0.250765D+01 -0.105590D+02  0.110464D+01 -0.863467D+01
      4   0.130070D+02 -0.266269D+02  0.209585D+02 -0.562386D+01  0.160142D+02
      5  -0.145293D+02  0.239858D+02 -0.305109D+02  0.197303D+02 -0.196349D+02
      6   0.498800D+01 -0.122974D+02  0.925296D+01 -0.227720D+01  0.902623D+01
               216           217           218           219           220 
      1   0.269667D+01  0.101889D+01  0.160778D+01 -0.928336D+01 -0.147117D+01
      2  -0.196009D+02 -0.318283D+01  0.775328D+00  0.744987D+01  0.274020D+01
      3   0.169042D+02  0.216393D+01 -0.238310D+01  0.183349D+01 -0.126903D+01
      4  -0.178877D+02  0.265115D+01  0.651483D+01 -0.294122D+01  0.460846D+01
      5   0.373156D+02 -0.113809D+02 -0.105811D+01  0.142982D+02  0.128821D+01
      6  -0.773282D+01 -0.286195D+01 -0.141738D+01  0.202065D+01 -0.100637D+01
               221           222           223           224           225 
      1   0.960349D+00  0.272642D+00 -0.865727D+01  0.162433D+01 -0.115372D+02
      2  -0.243262D+01 -0.526492D+01  0.887211D+01 -0.377246D+01 -0.256823D+02
      3   0.147227D+01  0.499228D+01 -0.214835D+00  0.214813D+01  0.372195D+02
      4  -0.157394D+00 -0.547835D+01 -0.489696D+01 -0.853846D+01  0.291533D+01
      5  -0.651054D+01 -0.978303D+01  0.172914D+02  0.210131D+01 -0.680155D+02
      6  -0.155293D+00  0.337591D+01  0.435821D+01  0.721327D+01 -0.233651D+02
               226           227           228           229           230 
      1   0.263970D+02  0.200139D+02  0.167486D+01  0.180229D+02  0.100222D+02
      2  -0.495148D+00  0.453452D+01  0.122605D+00  0.796445D+01  0.273235D+02
      3  -0.259018D+02 -0.245484D+02 -0.179746D+01 -0.259874D+02 -0.373457D+02
      4   0.392469D+02  0.420871D+02 -0.169767D+01  0.452610D+02  0.674731D+02
      5  -0.404306D+01 -0.572145D+01  0.925428D+01 -0.542244D+01 -0.478888D+01
      6  -0.331720D+01 -0.482780D+01  0.524146D+01 -0.490295D+01 -0.847403D+01
               231           232           233           234           235 
      1  -0.346270D+00  0.635934D+01  0.142984D+01  0.376007D+01 -0.438815D+02
      2   0.885889D+00  0.278057D+00  0.497257D+01 -0.107637D+01  0.289433D+02
      3  -0.539619D+00 -0.663740D+01 -0.640242D+01 -0.268370D+01  0.149382D+02
      4  -0.143579D+01  0.701777D+01  0.116087D+02  0.813705D+01 -0.133290D+02
      5   0.681404D+01  0.775213D+01  0.658945D+01 -0.189510D+01  0.118721D+02
      6   0.613191D+01  0.449722D+01  0.501751D+01  0.464695D-01  0.933075D-01
               236           237           238           239           240 
      1   0.136091D+02  0.984117D+00  0.883924D+01 -0.117394D+02  0.519064D+00
      2  -0.133390D+02 -0.143365D+01 -0.791723D+01  0.132136D+02  0.197534D+00
      3  -0.270083D+00  0.449533D+00 -0.922014D+00 -0.147421D+01 -0.716598D+00
      4  -0.359228D+01  0.327836D+01  0.187738D+01  0.443015D+01  0.931388D+00
      5   0.534270D+00 -0.576150D+01 -0.112197D+01  0.292720D+01 -0.665439D+00
      6   0.349459D+01 -0.485793D+01  0.166653D+01 -0.136281D+01  0.919768D+00
               241           242           243           244           245 
      1   0.490252D+01 -0.246533D+01 -0.630454D+01  0.229883D+01  0.389269D+01
      2  -0.327118D+01  0.353612D+01  0.902391D+00 -0.374164D+01 -0.205587D+01
      3  -0.163134D+01 -0.107078D+01  0.540215D+01  0.144281D+01 -0.183682D+01
      4   0.150643D+01  0.380721D+01 -0.175545D+01  0.672427D+01  0.668847D+01
      5  -0.220342D+01 -0.136838D+00 -0.270579D+01 -0.112580D+02 -0.274239D+01
      6  -0.295047D+01  0.125445D+01 -0.492524D+00 -0.453676D+01 -0.733646D+00
               246           247           248           249           250 
      1  -0.604486D+01  0.427157D+01 -0.623752D-01  0.197816D+01 -0.761141D+01
      2   0.453985D+01 -0.182132D+01  0.969161D+00 -0.143072D+01  0.719884D+01
      3   0.150501D+01 -0.245024D+01 -0.906785D+00 -0.547438D+00  0.412577D+00
      4  -0.380005D+01  0.101239D+02  0.650803D+01 -0.790264D+01 -0.570447D+01
      5   0.119220D+02 -0.345568D+01 -0.817632D+01  0.999720D+01  0.158185D+02
      6   0.267929D+01 -0.218395D+01 -0.603752D+01  0.771784D+01  0.409789D+01
               251           252           253           254           255 
      1   0.215457D+01 -0.445271D+01 -0.810391D+02 -0.352680D+01  0.808914D+01
      2   0.554808D+00 -0.916485D+01  0.410830D+02  0.927219D+01 -0.544256D+01
      3  -0.270938D+01  0.136176D+02  0.399561D+02 -0.574539D+01 -0.264657D+01
      4  -0.995107D+01  0.103756D+02 -0.845826D+01  0.232851D+02  0.999382D+01
      5   0.911959D+01 -0.344595D+02  0.112064D+02  0.715382D+01  0.128345D+02
      6   0.747596D+01 -0.127265D+02  0.841139D+01  0.537764D+01  0.452276D+01
               256           257           258           259           260 
      1   0.144833D+02  0.331152D+02  0.267481D+01  0.273553D+02  0.376939D+01
      2  -0.364099D+01 -0.371098D+02 -0.629305D+01 -0.118856D+02 -0.324539D+01
      3  -0.108423D+02  0.399459D+01  0.361824D+01 -0.154697D+02 -0.523995D+00
      4   0.252417D+02 -0.268690D+02  0.518794D+01  0.194287D+02  0.137413D+02
      5   0.112396D+02  0.788646D+01  0.168579D+02  0.189327D+02  0.185122D+02
      6   0.562811D+01 -0.381848D+01  0.546381D+01  0.787105D+01  0.727356D+01
               261           262           263           264           265 
      1   0.152481D+02  0.616170D+01 -0.734253D+01  0.216607D+01 -0.666175D+01
      2   0.557905D+01  0.158641D+01 -0.110318D+01 -0.650936D-01 -0.710418D+01
      3  -0.208271D+02 -0.774811D+01  0.844570D+01 -0.210097D+01  0.137659D+02
      4   0.218079D+02 -0.127132D+02  0.160594D+02 -0.348666D+01  0.256273D+02
      5  -0.194685D+02  0.448253D+01 -0.371858D+01  0.324549D+01 -0.672303D+01
      6  -0.348131D+01 -0.290583D+01  0.284167D+01 -0.135125D+01  0.530210D+01
               266           267           268           269           270 
      1  -0.500207D+01  0.610283D+00  0.382493D+00  0.980679D+00 -0.651740D+00
      2   0.311425D+02 -0.501926D+01 -0.180793D+01  0.295717D+01  0.151814D+01
      3  -0.261404D+02  0.440898D+01  0.142544D+01 -0.393785D+01 -0.866402D+00
      4  -0.557655D+02  0.114523D+02  0.164050D+01 -0.310289D+01 -0.396454D+01
      5   0.123725D+02 -0.976696D+01  0.285346D+01 -0.401436D+01  0.424681D+01
      6  -0.130122D+02  0.729495D+01 -0.158882D+01  0.422532D+01 -0.275044D+01
               271           272           273           274           275 
      1   0.440650D+01 -0.109475D+01  0.627015D+01 -0.759629D+01 -0.635016D+01
      2  -0.589207D+01 -0.733168D+00 -0.247434D+01  0.355364D+01  0.264848D+01
      3   0.148557D+01  0.182791D+01 -0.379581D+01  0.404265D+01  0.370168D+01
      4  -0.254377D+01 -0.381127D+01  0.764432D-01 -0.359920D+01 -0.391220D+01
      5   0.394802D+01 -0.163976D+01  0.563265D+00 -0.426181D+01  0.415414D+01
      6  -0.237704D+00 -0.154428D+01 -0.999405D+00 -0.809175D+00 -0.351475D+00
               276           277           278           279           280 
      1  -0.532335D+00  0.995940D+01 -0.120872D+00 -0.117898D+02  0.128752D+03
      2   0.493092D+01 -0.667690D+01  0.398179D+01 -0.154694D+02 -0.616659D+02
      3  -0.439859D+01 -0.328250D+01 -0.386092D+01  0.272592D+02 -0.670865D+02
      4   0.449456D+01  0.415053D+01  0.814688D+01 -0.341894D+01  0.389170D+02
      5  -0.886802D+01  0.102213D+02 -0.243419D+01  0.433194D+02  0.944224D+01
      6   0.143480D+01  0.166727D+01  0.383462D+01  0.124126D+02 -0.100555D+01
               281           282           283           284           285 
      1   0.868951D+01 -0.152310D+01 -0.660312D+01  0.848498D+01 -0.882533D-01
      2  -0.110380D+01 -0.112776D+00  0.641581D+01 -0.971972D+00  0.458875D+00
      3  -0.758571D+01  0.163588D+01  0.187315D+00 -0.751301D+01 -0.370622D+00
      4   0.164455D+02  0.760241D+00  0.136185D+02  0.600273D+01 -0.132056D+01
      5   0.143062D+01  0.125079D+02 -0.134637D+01 -0.855460D+00 -0.261168D+01
      6   0.157383D+01  0.335018D+01  0.679926D+00  0.270059D+00  0.361916D-01
               286           287           288           289           290 
      1  -0.155674D+02 -0.137298D+01  0.985340D+01  0.113344D+01  0.133175D+02
      2   0.608267D+01 -0.187355D+00 -0.709348D+01  0.311061D+01 -0.126458D+02
      3   0.948477D+01  0.156033D+01 -0.275992D+01 -0.424406D+01 -0.671641D+00
      4  -0.649761D+01 -0.471078D+01  0.111790D+01  0.495139D+01 -0.449275D+01
      5   0.130873D+02 -0.891837D+00 -0.560877D+00 -0.190467D+01 -0.337419D+00
      6   0.334174D+01  0.449196D+00 -0.619584D+00 -0.152305D-01 -0.241994D+01
               291           292           293           294           295 
      1  -0.279938D-01  0.101924D+02 -0.309013D+02 -0.262256D+01 -0.437438D+01
      2  -0.475031D-01 -0.315212D+01  0.528263D+02  0.287435D+01  0.149714D+01
      3   0.754969D-01 -0.704033D+01 -0.219250D+02 -0.251792D+00  0.287724D+01
      4  -0.199785D+01  0.113165D+02  0.590972D+02  0.557355D+01 -0.323632D+01
      5  -0.259964D+01  0.269947D+01  0.305260D+01  0.665575D+01 -0.490353D+00
      6  -0.225497D+01  0.652206D+00  0.113068D+02  0.734310D+01 -0.338063D+00
               296           297 
      1  -0.149772D+01 -0.629567D+01
      2  -0.121768D+01  0.480490D+01
      3   0.271540D+01  0.149077D+01
      4  -0.333250D+01  0.435241D+01
      5   0.536975D+01  0.230889D+01
      6   0.720070D+01  0.144057D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep 29 13:42:01 2021, MaxMem=  6442450944 cpu:           48156.5 elap:            6024.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51739 -19.46209 -10.58563 -10.46647 -10.45761
 Alpha  occ. eigenvalues --  -10.45090 -10.44560 -10.44493 -10.44350 -10.44325
 Alpha  occ. eigenvalues --  -10.44305 -10.44109 -10.43789 -10.42311 -10.42265
 Alpha  occ. eigenvalues --   -1.24732  -1.14513  -1.00923  -0.96134  -0.93424
 Alpha  occ. eigenvalues --   -0.88100  -0.87684  -0.81481  -0.81190  -0.79577
 Alpha  occ. eigenvalues --   -0.74925  -0.73110  -0.70483  -0.67896  -0.63490
 Alpha  occ. eigenvalues --   -0.62105  -0.60327  -0.59461  -0.58867  -0.57611
 Alpha  occ. eigenvalues --   -0.56572  -0.54828  -0.54467  -0.53927  -0.53428
 Alpha  occ. eigenvalues --   -0.52794  -0.50513  -0.49488  -0.49132  -0.48538
 Alpha  occ. eigenvalues --   -0.48040  -0.46748  -0.45795  -0.44383  -0.43942
 Alpha  occ. eigenvalues --   -0.43686  -0.43080  -0.41807  -0.40017  -0.35421
 Alpha  occ. eigenvalues --   -0.33602
 Alpha virt. eigenvalues --    0.03124   0.04638   0.05499   0.05881   0.06087
 Alpha virt. eigenvalues --    0.06566   0.07500   0.07765   0.08076   0.09091
 Alpha virt. eigenvalues --    0.09557   0.10248   0.10716   0.11370   0.12184
 Alpha virt. eigenvalues --    0.12302   0.13166   0.13311   0.14972   0.15211
 Alpha virt. eigenvalues --    0.15836   0.16465   0.17240   0.17647   0.18266
 Alpha virt. eigenvalues --    0.18436   0.18740   0.19677   0.19956   0.20719
 Alpha virt. eigenvalues --    0.21346   0.21975   0.22483   0.22818   0.23276
 Alpha virt. eigenvalues --    0.23863   0.23894   0.24141   0.24969   0.25396
 Alpha virt. eigenvalues --    0.25789   0.26029   0.26678   0.27912   0.28651
 Alpha virt. eigenvalues --    0.28775   0.29572   0.30042   0.30448   0.30690
 Alpha virt. eigenvalues --    0.31092   0.31739   0.32083   0.32554   0.33202
 Alpha virt. eigenvalues --    0.33316   0.33689   0.34080   0.34923   0.34972
 Alpha virt. eigenvalues --    0.35296   0.35462   0.35637   0.35987   0.37183
 Alpha virt. eigenvalues --    0.37629   0.37736   0.37819   0.38181   0.38482
 Alpha virt. eigenvalues --    0.38844   0.39218   0.39536   0.39811   0.40301
 Alpha virt. eigenvalues --    0.40846   0.41103   0.41212   0.41346   0.41940
 Alpha virt. eigenvalues --    0.42251   0.42415   0.42477   0.42992   0.43351
 Alpha virt. eigenvalues --    0.43790   0.44128   0.44260   0.44481   0.44763
 Alpha virt. eigenvalues --    0.45085   0.45593   0.45811   0.45917   0.46365
 Alpha virt. eigenvalues --    0.47052   0.47437   0.47925   0.48397   0.48561
 Alpha virt. eigenvalues --    0.48973   0.49455   0.49570   0.50075   0.50537
 Alpha virt. eigenvalues --    0.50918   0.51092   0.51576   0.51886   0.52289
 Alpha virt. eigenvalues --    0.53071   0.53461   0.53723   0.54129   0.54298
 Alpha virt. eigenvalues --    0.55010   0.55179   0.55757   0.55927   0.56351
 Alpha virt. eigenvalues --    0.56706   0.56980   0.57229   0.57780   0.58657
 Alpha virt. eigenvalues --    0.59170   0.59767   0.59912   0.60173   0.60528
 Alpha virt. eigenvalues --    0.61305   0.61502   0.61748   0.62483   0.63082
 Alpha virt. eigenvalues --    0.63411   0.63635   0.64088   0.64674   0.64914
 Alpha virt. eigenvalues --    0.65730   0.66388   0.66599   0.66947   0.67213
 Alpha virt. eigenvalues --    0.68175   0.68745   0.69007   0.69362   0.70219
 Alpha virt. eigenvalues --    0.70584   0.71497   0.72373   0.72425   0.73270
 Alpha virt. eigenvalues --    0.73771   0.74171   0.74672   0.75035   0.75423
 Alpha virt. eigenvalues --    0.75740   0.76949   0.77538   0.78108   0.78487
 Alpha virt. eigenvalues --    0.79067   0.79227   0.80518   0.81266   0.81856
 Alpha virt. eigenvalues --    0.82060   0.83555   0.83652   0.84407   0.85062
 Alpha virt. eigenvalues --    0.85229   0.86095   0.86826   0.88072   0.88988
 Alpha virt. eigenvalues --    0.90834   0.91360   0.92836   0.93254   0.94839
 Alpha virt. eigenvalues --    0.95581   0.96821   0.98122   0.99926   1.00409
 Alpha virt. eigenvalues --    1.01248   1.01433   1.02264   1.03242   1.04423
 Alpha virt. eigenvalues --    1.05126   1.06298   1.07118   1.08337   1.08533
 Alpha virt. eigenvalues --    1.09202   1.09665   1.10486   1.10895   1.12182
 Alpha virt. eigenvalues --    1.12537   1.12827   1.13657   1.13970   1.14485
 Alpha virt. eigenvalues --    1.14956   1.15787   1.16232   1.17016   1.18175
 Alpha virt. eigenvalues --    1.20314   1.20949   1.22332   1.22574   1.24192
 Alpha virt. eigenvalues --    1.24874   1.25739   1.26072   1.27368   1.27973
 Alpha virt. eigenvalues --    1.29719   1.30717   1.30950   1.31460   1.32124
 Alpha virt. eigenvalues --    1.32981   1.34516   1.34623   1.36120   1.36823
 Alpha virt. eigenvalues --    1.37205   1.40105   1.41672   1.42626   1.43322
 Alpha virt. eigenvalues --    1.43696   1.46058   1.48132   1.48478   1.50120
 Alpha virt. eigenvalues --    1.51228   1.51666   1.53692   1.55023   1.56140
 Alpha virt. eigenvalues --    1.56824   1.58322   1.59971   1.63124   1.63973
 Alpha virt. eigenvalues --    1.65871   1.66865   1.67132   1.69302   1.71230
 Alpha virt. eigenvalues --    1.72237   1.74738   1.75453   1.76037   1.77403
 Alpha virt. eigenvalues --    1.79931   1.81287   1.81733   1.82855   1.83678
 Alpha virt. eigenvalues --    1.85642   1.86689   1.87711   1.88000   1.89071
 Alpha virt. eigenvalues --    1.90096   1.90847   1.91615   1.92519   1.92988
 Alpha virt. eigenvalues --    1.95205   1.95982   1.97355   1.98143   1.98581
 Alpha virt. eigenvalues --    1.99320   1.99963   2.00467   2.02347   2.03416
 Alpha virt. eigenvalues --    2.03871   2.04898   2.05422   2.06142   2.06439
 Alpha virt. eigenvalues --    2.06724   2.07804   2.09430   2.10056   2.10772
 Alpha virt. eigenvalues --    2.11449   2.13167   2.13432   2.14501   2.15073
 Alpha virt. eigenvalues --    2.15154   2.17416   2.18382   2.20148   2.21035
 Alpha virt. eigenvalues --    2.21962   2.22566   2.23319   2.24272   2.25061
 Alpha virt. eigenvalues --    2.25855   2.27263   2.27750   2.28641   2.30808
 Alpha virt. eigenvalues --    2.31223   2.32336   2.33018   2.34134   2.35098
 Alpha virt. eigenvalues --    2.36009   2.37770   2.38922   2.41325   2.43981
 Alpha virt. eigenvalues --    2.45656   2.45938   2.48998   2.49478   2.50566
 Alpha virt. eigenvalues --    2.51528   2.51863   2.53758   2.54423   2.55364
 Alpha virt. eigenvalues --    2.57093   2.59137   2.61670   2.62629   2.64503
 Alpha virt. eigenvalues --    2.66385   2.67458   2.68313   2.69356   2.70627
 Alpha virt. eigenvalues --    2.72213   2.74778   2.75468   2.75897   2.77021
 Alpha virt. eigenvalues --    2.77907   2.78434   2.79799   2.81881   2.85704
 Alpha virt. eigenvalues --    2.93242   2.94863   2.95952   2.97251   2.99923
 Alpha virt. eigenvalues --    3.01107   3.01661   3.03382   3.07726   3.08772
 Alpha virt. eigenvalues --    3.10679   3.12475   3.13964   3.14568   3.16244
 Alpha virt. eigenvalues --    3.17251   3.18071   3.20500   3.22499   3.24081
 Alpha virt. eigenvalues --    3.24321   3.27892   3.29501   3.30171   3.32558
 Alpha virt. eigenvalues --    3.33700   3.34022   3.35512   3.44326   3.46417
 Alpha virt. eigenvalues --    3.68458   3.74420   3.89166   4.01131
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.817274  -2.104014  -2.165560   1.036414  -0.025941   0.088804
     2  C   -2.104014  14.685785   0.799589  -0.748609   0.726587  -1.729775
     3  C   -2.165560   0.799589  11.271190  -1.648129   0.055856  -0.208372
     4  C    1.036414  -0.748609  -1.648129  13.344603  -2.075502   0.770470
     5  C   -0.025941   0.726587   0.055856  -2.075502  10.869327  -2.323390
     6  C    0.088804  -1.729775  -0.208372   0.770470  -2.323390  11.082856
     7  C   -1.284858   0.425214   0.061526   0.153215   0.057494  -1.267758
     8  C   -0.099928   0.319129   0.018412   0.002040   0.021258  -0.097785
     9  C   -0.065439  -0.072804   0.004332  -0.004953   0.000905   0.006729
    10  C    0.017374  -0.084042  -0.000613  -0.006023   0.001747  -0.047900
    11  C    0.077884   0.149122  -1.234222   0.410429  -0.953311   0.091034
    12  C   -0.010505   0.006024  -0.049640  -0.024566  -0.001770  -0.026917
    13  O    0.006505  -0.002061  -0.034001   0.038033  -0.037802  -0.001511
    14  O    0.005878   0.003489  -0.014291   0.051880  -0.125745   0.030987
    15  H    0.521169  -2.139727  -0.943788   0.095800   0.204739   0.049462
    16  H   -0.933889   0.044221   0.509461  -2.104792   0.122089   0.256109
    17  H    0.204972   0.006895   0.042567  -1.889875   0.603016  -0.738148
    18  H    0.081905  -2.191574   0.220454   0.140624  -0.934321   0.207180
    19  H    0.129920  -0.106915   0.008478  -0.000328   0.001402  -0.007480
    20  H    0.008649  -0.061383  -0.006541  -0.003040   0.008063   0.124069
    21  H    0.032670   0.040770  -0.001908  -0.000308  -0.002029   0.032980
    22  H   -0.031969   0.045111   0.011131   0.002488   0.003555  -0.007441
    23  H    0.007715   0.010621  -0.000338   0.000181  -0.000561   0.000889
    24  H    0.011420  -0.067339  -0.005687  -0.001328   0.000476   0.002504
    25  H    0.002424  -0.070945   0.000553  -0.001568  -0.006442   0.017025
    26  H   -0.000314   0.012766  -0.000650   0.000359   0.000389   0.002770
    27  H   -0.004575   0.037650   0.005006   0.001502   0.005343  -0.015505
    28  H    0.006237  -0.001972  -0.148628  -0.325542   0.153079   0.025473
    29  C    0.005338   0.004635   0.010124  -0.046571  -0.077740  -0.007876
    30  H   -0.000184  -0.000070   0.002044  -0.014893   0.005820  -0.001579
    31  H    0.000370   0.001055  -0.006916  -0.009148  -0.014911   0.001229
    32  H   -0.000050  -0.000199  -0.014254  -0.010733  -0.004826  -0.001091
    33  H   -0.001095   0.002082   0.040537  -0.046200  -0.016455  -0.001977
               7          8          9         10         11         12
     1  C   -1.284858  -0.099928  -0.065439   0.017374   0.077884  -0.010505
     2  C    0.425214   0.319129  -0.072804  -0.084042   0.149122   0.006024
     3  C    0.061526   0.018412   0.004332  -0.000613  -1.234222  -0.049640
     4  C    0.153215   0.002040  -0.004953  -0.006023   0.410429  -0.024566
     5  C    0.057494   0.021258   0.000905   0.001747  -0.953311  -0.001770
     6  C   -1.267758  -0.097785   0.006729  -0.047900   0.091034  -0.026917
     7  C    7.619456   0.073053   0.058978   0.042317  -0.002969  -0.000095
     8  C    0.073053   5.561446   0.343816   0.345978  -0.000370   0.000412
     9  C    0.058978   0.343816   4.347067  -0.031249  -0.000201  -0.000120
    10  C    0.042317   0.345978  -0.031249   4.344328   0.000079  -0.000068
    11  C   -0.002969  -0.000370  -0.000201   0.000079   7.701331   0.140000
    12  C   -0.000095   0.000412  -0.000120  -0.000068   0.140000   5.089666
    13  O    0.000020  -0.000053   0.000024  -0.000001  -0.082771   0.566448
    14  O   -0.000109  -0.000115   0.000022  -0.000002  -0.172044   0.274510
    15  H   -0.557955  -0.062521  -0.032085   0.003237   0.031657  -0.000162
    16  H    0.018949   0.004308   0.000069  -0.000661  -0.601375  -0.049010
    17  H    0.018361   0.005035  -0.000594  -0.000722  -0.385370   0.026429
    18  H   -0.549495  -0.073659   0.001248  -0.025380   0.006466  -0.005562
    19  H    0.027018   0.026268   0.004327   0.000414   0.000009   0.000009
    20  H   -0.012030   0.030387   0.001935   0.004490  -0.000037  -0.000038
    21  H   -0.156389   0.357196  -0.040538  -0.038597   0.000002  -0.000000
    22  H   -0.087046   0.159265   0.129793  -0.017039  -0.000178   0.000107
    23  H    0.044394   0.146862   0.179957  -0.021926   0.000010  -0.000003
    24  H   -0.104891   0.073089   0.300466   0.010176  -0.000019  -0.000016
    25  H   -0.111951   0.080813   0.009412   0.291912   0.000009  -0.000013
    26  H    0.052640   0.139094  -0.020818   0.188194   0.000013  -0.000006
    27  H   -0.100231   0.161974  -0.016818   0.125072   0.000013   0.000116
    28  H    0.000053  -0.000014  -0.000040   0.000021   0.110491  -0.105548
    29  C   -0.000172  -0.000022   0.000005  -0.000002   0.386088   0.037511
    30  H    0.000000   0.000002   0.000000  -0.000002   0.024505   0.065244
    31  H   -0.000010   0.000000   0.000000  -0.000001   0.087971  -0.017982
    32  H   -0.000001   0.000000  -0.000000  -0.000000   0.156098  -0.001651
    33  H    0.000014  -0.000002   0.000001  -0.000000   0.105896   0.015624
              13         14         15         16         17         18
     1  C    0.006505   0.005878   0.521169  -0.933889   0.204972   0.081905
     2  C   -0.002061   0.003489  -2.139727   0.044221   0.006895  -2.191574
     3  C   -0.034001  -0.014291  -0.943788   0.509461   0.042567   0.220454
     4  C    0.038033   0.051880   0.095800  -2.104792  -1.889875   0.140624
     5  C   -0.037802  -0.125745   0.204739   0.122089   0.603016  -0.934321
     6  C   -0.001511   0.030987   0.049462   0.256109  -0.738148   0.207180
     7  C    0.000020  -0.000109  -0.557955   0.018949   0.018361  -0.549495
     8  C   -0.000053  -0.000115  -0.062521   0.004308   0.005035  -0.073659
     9  C    0.000024   0.000022  -0.032085   0.000069  -0.000594   0.001248
    10  C   -0.000001  -0.000002   0.003237  -0.000661  -0.000722  -0.025380
    11  C   -0.082771  -0.172044   0.031657  -0.601375  -0.385370   0.006466
    12  C    0.566448   0.274510  -0.000162  -0.049010   0.026429  -0.005562
    13  O    7.851018  -0.042720   0.000459  -0.012379  -0.013826   0.000776
    14  O   -0.042720   8.095273   0.000259  -0.003357  -0.062870   0.009210
    15  H    0.000459   0.000259   4.328885  -1.164479  -0.027137   0.091685
    16  H   -0.012379  -0.003357  -1.164479   4.306846   0.072258  -0.033215
    17  H   -0.013826  -0.062870  -0.027137   0.072258   3.840704  -1.013914
    18  H    0.000776   0.009210   0.091685  -0.033215  -1.013914   4.548180
    19  H    0.000000  -0.000004   0.035305  -0.000979   0.000367  -0.007135
    20  H    0.000006   0.000007   0.008599  -0.001464  -0.001000   0.034296
    21  H   -0.000000   0.000000   0.007956  -0.000068  -0.000067   0.007722
    22  H   -0.000015   0.000003  -0.004147   0.003165  -0.000212   0.000340
    23  H    0.000003   0.000000   0.000231  -0.000035  -0.000010   0.000327
    24  H   -0.000001   0.000003  -0.002856  -0.000889  -0.000009   0.000864
    25  H    0.000002  -0.000001   0.000833  -0.000006  -0.001258   0.001005
    26  H   -0.000001   0.000003   0.000085  -0.000004   0.000065  -0.001559
    27  H   -0.000033   0.000037   0.001083  -0.000092   0.001819   0.000799
    28  H   -0.073842  -0.020783  -0.002424  -0.004403   0.036997  -0.000884
    29  C    0.007312   0.003917   0.001487  -0.033777  -0.016628   0.003003
    30  H   -0.045437   0.183957  -0.000001   0.000354   0.007191  -0.000313
    31  H   -0.000293   0.016846   0.000156  -0.002072  -0.008692   0.000694
    32  H    0.002487  -0.024927   0.000024  -0.004068   0.001116  -0.000092
    33  H   -0.003168   0.007311  -0.000502   0.013703  -0.018877   0.000761
              19         20         21         22         23         24
     1  C    0.129920   0.008649   0.032670  -0.031969   0.007715   0.011420
     2  C   -0.106915  -0.061383   0.040770   0.045111   0.010621  -0.067339
     3  C    0.008478  -0.006541  -0.001908   0.011131  -0.000338  -0.005687
     4  C   -0.000328  -0.003040  -0.000308   0.002488   0.000181  -0.001328
     5  C    0.001402   0.008063  -0.002029   0.003555  -0.000561   0.000476
     6  C   -0.007480   0.124069   0.032980  -0.007441   0.000889   0.002504
     7  C    0.027018  -0.012030  -0.156389  -0.087046   0.044394  -0.104891
     8  C    0.026268   0.030387   0.357196   0.159265   0.146862   0.073089
     9  C    0.004327   0.001935  -0.040538   0.129793   0.179957   0.300466
    10  C    0.000414   0.004490  -0.038597  -0.017039  -0.021926   0.010176
    11  C    0.000009  -0.000037   0.000002  -0.000178   0.000010  -0.000019
    12  C    0.000009  -0.000038  -0.000000   0.000107  -0.000003  -0.000016
    13  O    0.000000   0.000006  -0.000000  -0.000015   0.000003  -0.000001
    14  O   -0.000004   0.000007   0.000000   0.000003   0.000000   0.000003
    15  H    0.035305   0.008599   0.007956  -0.004147   0.000231  -0.002856
    16  H   -0.000979  -0.001464  -0.000068   0.003165  -0.000035  -0.000889
    17  H    0.000367  -0.001000  -0.000067  -0.000212  -0.000010  -0.000009
    18  H   -0.007135   0.034296   0.007722   0.000340   0.000327   0.000864
    19  H    1.094151  -0.310289  -0.027588   0.008079   0.001071  -0.007095
    20  H   -0.310289   1.066749  -0.024796  -0.021171  -0.004598   0.035286
    21  H   -0.027588  -0.024796   1.147190   0.000312   0.019148  -0.028444
    22  H    0.008079  -0.021171   0.000312   0.867420  -0.150542   0.048668
    23  H    0.001071  -0.004598   0.019148  -0.150542   1.169069  -0.282833
    24  H   -0.007095   0.035286  -0.028444   0.048668  -0.282833   1.031675
    25  H    0.034985  -0.007505  -0.026448  -0.002790   0.012385  -0.006001
    26  H   -0.004683   0.001594   0.016288  -0.026357  -0.006808   0.012773
    27  H   -0.019868   0.007385   0.001679   0.032822  -0.025882  -0.003571
    28  H    0.000007   0.000005   0.000000  -0.000007   0.000000  -0.000002
    29  C   -0.000004   0.000015   0.000000   0.000003  -0.000000   0.000000
    30  H   -0.000000  -0.000000   0.000000  -0.000000  -0.000000   0.000000
    31  H    0.000001   0.000000  -0.000000  -0.000000   0.000000  -0.000000
    32  H    0.000000  -0.000000   0.000000  -0.000000  -0.000000  -0.000000
    33  H   -0.000003   0.000000  -0.000000   0.000001  -0.000000   0.000000
              25         26         27         28         29         30
     1  C    0.002424  -0.000314  -0.004575   0.006237   0.005338  -0.000184
     2  C   -0.070945   0.012766   0.037650  -0.001972   0.004635  -0.000070
     3  C    0.000553  -0.000650   0.005006  -0.148628   0.010124   0.002044
     4  C   -0.001568   0.000359   0.001502  -0.325542  -0.046571  -0.014893
     5  C   -0.006442   0.000389   0.005343   0.153079  -0.077740   0.005820
     6  C    0.017025   0.002770  -0.015505   0.025473  -0.007876  -0.001579
     7  C   -0.111951   0.052640  -0.100231   0.000053  -0.000172   0.000000
     8  C    0.080813   0.139094   0.161974  -0.000014  -0.000022   0.000002
     9  C    0.009412  -0.020818  -0.016818  -0.000040   0.000005   0.000000
    10  C    0.291912   0.188194   0.125072   0.000021  -0.000002  -0.000002
    11  C    0.000009   0.000013   0.000013   0.110491   0.386088   0.024505
    12  C   -0.000013  -0.000006   0.000116  -0.105548   0.037511   0.065244
    13  O    0.000002  -0.000001  -0.000033  -0.073842   0.007312  -0.045437
    14  O   -0.000001   0.000003   0.000037  -0.020783   0.003917   0.183957
    15  H    0.000833   0.000085   0.001083  -0.002424   0.001487  -0.000001
    16  H   -0.000006  -0.000004  -0.000092  -0.004403  -0.033777   0.000354
    17  H   -0.001258   0.000065   0.001819   0.036997  -0.016628   0.007191
    18  H    0.001005  -0.001559   0.000799  -0.000884   0.003003  -0.000313
    19  H    0.034985  -0.004683  -0.019868   0.000007  -0.000004  -0.000000
    20  H   -0.007505   0.001594   0.007385   0.000005   0.000015  -0.000000
    21  H   -0.026448   0.016288   0.001679   0.000000   0.000000   0.000000
    22  H   -0.002790  -0.026357   0.032822  -0.000007   0.000003  -0.000000
    23  H    0.012385  -0.006808  -0.025882   0.000000  -0.000000  -0.000000
    24  H   -0.006001   0.012773  -0.003571  -0.000002   0.000000   0.000000
    25  H    1.028240  -0.285880   0.052202   0.000001   0.000000   0.000000
    26  H   -0.285880   1.185122  -0.154427  -0.000000  -0.000000   0.000000
    27  H    0.052202  -0.154427   0.868142  -0.000001  -0.000001   0.000001
    28  H    0.000001  -0.000000  -0.000001   1.464147  -0.200095  -0.000172
    29  C    0.000000  -0.000000  -0.000001  -0.200095   4.265531   0.006059
    30  H    0.000000   0.000000   0.000001  -0.000172   0.006059   0.629384
    31  H   -0.000000  -0.000000  -0.000001  -0.006897   0.295707   0.000848
    32  H   -0.000000   0.000000   0.000000  -0.012818   0.235285   0.002228
    33  H   -0.000000  -0.000000  -0.000001   0.002849   0.203569  -0.000121
              31         32         33
     1  C    0.000370  -0.000050  -0.001095
     2  C    0.001055  -0.000199   0.002082
     3  C   -0.006916  -0.014254   0.040537
     4  C   -0.009148  -0.010733  -0.046200
     5  C   -0.014911  -0.004826  -0.016455
     6  C    0.001229  -0.001091  -0.001977
     7  C   -0.000010  -0.000001   0.000014
     8  C    0.000000   0.000000  -0.000002
     9  C    0.000000  -0.000000   0.000001
    10  C   -0.000001  -0.000000  -0.000000
    11  C    0.087971   0.156098   0.105896
    12  C   -0.017982  -0.001651   0.015624
    13  O   -0.000293   0.002487  -0.003168
    14  O    0.016846  -0.024927   0.007311
    15  H    0.000156   0.000024  -0.000502
    16  H   -0.002072  -0.004068   0.013703
    17  H   -0.008692   0.001116  -0.018877
    18  H    0.000694  -0.000092   0.000761
    19  H    0.000001   0.000000  -0.000003
    20  H    0.000000  -0.000000   0.000000
    21  H   -0.000000   0.000000  -0.000000
    22  H   -0.000000  -0.000000   0.000001
    23  H    0.000000  -0.000000  -0.000000
    24  H   -0.000000  -0.000000   0.000000
    25  H   -0.000000  -0.000000  -0.000000
    26  H   -0.000000   0.000000  -0.000000
    27  H   -0.000001   0.000000  -0.000001
    28  H   -0.006897  -0.012818   0.002849
    29  C    0.295707   0.235285   0.203569
    30  H    0.000848   0.002228  -0.000121
    31  H    0.749869  -0.036723  -0.030112
    32  H   -0.036723   0.747365  -0.078103
    33  H   -0.030112  -0.078103   0.739172
 Mulliken charges:
               1
     1  C   -0.334600
     2  C   -1.939316
     3  C   -0.577721
     4  C   -1.085931
     5  C   -0.240400
     6  C   -0.306067
     7  C    1.583259
     8  C   -1.535370
     9  C    0.896574
    10  C    0.898889
    11  C   -0.046241
    12  C    0.071574
    13  O   -0.123177
    14  O   -0.216623
    15  H    0.554678
    16  H    0.599483
    17  H    0.311418
    18  H    0.479564
    19  H    0.120560
    20  H    0.122356
    21  H   -0.316729
    22  H    0.036653
    23  H   -0.099331
    24  H   -0.016420
    25  H   -0.010991
    26  H   -0.110645
    27  H    0.038360
    28  H    0.104716
    29  C    0.917300
    30  H    0.135136
    31  H   -0.020987
    32  H    0.044934
    33  H    0.065096
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.220077
     2  C   -1.939316
     3  C    0.021762
     4  C   -1.085931
     5  C    0.071018
     6  C    0.173497
     7  C    1.826175
     8  C   -1.852099
     9  C    0.817477
    10  C    0.815614
    11  C    0.058474
    12  C    0.071574
    13  O   -0.123177
    14  O   -0.081488
    29  C    1.006343
 Electronic spatial extent (au):  <R**2>=           4250.0087
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.8837    Y=             -0.8306    Z=             -1.6180  Tot=              2.0221
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -86.6825   YY=            -90.8677   ZZ=            -92.9345
   XY=              1.8486   XZ=              5.7338   YZ=             -6.8754
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.4791   YY=             -0.7061   ZZ=             -2.7729
   XY=              1.8486   XZ=              5.7338   YZ=             -6.8754
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -15.2071  YYY=             29.1430  ZZZ=             -6.8245  XYY=            -18.3786
  XXY=             -4.2774  XXZ=            -21.3944  XZZ=              7.0915  YZZ=             -7.2220
  YYZ=             -6.0974  XYZ=             16.9204
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4237.9137 YYYY=           -723.7453 ZZZZ=           -633.7941 XXXY=            -19.6926
 XXXZ=             70.4640 YYYX=            -76.7007 YYYZ=            -29.1763 ZZZX=              7.2364
 ZZZY=            -23.1397 XXYY=           -792.8549 XXZZ=           -874.0849 YYZZ=           -242.5664
 XXYZ=            -60.5310 YYXZ=             44.8111 ZZXY=              6.2824
 N-N= 9.839721115949D+02 E-N=-3.489519100163D+03  KE= 6.480724510469D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep 29 13:42:02 2021, MaxMem=  6442450944 cpu:               5.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.39577811D-01-2.87272771D-01-6.13776507D-01
 Polarizability= 1.98599416D+02-1.02311466D+00 1.29438191D+02
                -5.60187804D-01-6.77632298D+00 1.47115336D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.4063    0.3988       -0.4070   -0.4107
 2     -0.4063   -0.3988        3.2395    3.2405      -35.9812  -35.9709
 3      0.4070    0.4107       26.5925   26.5891       -3.2425   -3.2405
 4     -3.2395   -3.2405        0.0000    0.0000        0.4104    0.4107
 5      9.3887    9.3818       -0.4104   -0.4107        0.3984    0.3988
 6      3.2425    3.2405       -0.3984   -0.3988        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.1965   -1.1965       -1.2321   -1.2321
 2     -9.7216   -9.7216       -0.0000    0.0000       -1.2321   -1.2321
 3     -9.7216   -9.7216       -1.1965   -1.1965       -0.0000    0.0000
 4     -1.1965   -1.1965        9.7216    9.7216     -107.9127 -107.9127
 5      1.2321    1.2321       79.7672   79.7672       -9.7216   -9.7216
 6     28.1455   28.1455       -1.2321   -1.2321        1.1965    1.1965
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1424    0.0000       -0.6593   -1.5953        2.1035    1.6428
 2      1.1994    1.5953      -13.6672  -12.9621      143.8001  143.8836
 3     -2.0362   -1.6428     -105.5835 -106.3563       13.1647   12.9621
 4     13.2932   12.9621       -0.0793    0.0000       -1.6718   -1.6428
 5    -37.5683  -37.5274        1.8885    1.6428       -1.6272   -1.5953
 6    -12.9214  -12.9621        1.7208    1.5953       -0.2023    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.5819    0.0000      -93.3428  -94.6203       -2.7655   -2.8825
 2     96.6682   94.6203        7.9965    8.3211       12.9636   12.1122
 3      3.8689    2.8825       30.1838   31.2273       -8.9603   -8.3211
 4     -7.4277   -8.3211       -1.3290    0.0000        2.5862    2.8825
 5    -42.9226  -43.3395       -3.4104   -2.8825      -94.4870  -94.6203
 6      8.0892    8.3211       94.7359   94.6203       -0.1089    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -11.8752  -11.8488       -2.3182   -2.0792      -18.2514  -18.6223
 2    -23.6988  -25.0251      -78.0577  -77.6469      -18.8500  -18.6223
 3    -23.2792  -25.0251       -2.6664   -2.0792      -19.8024  -19.3771
 4     76.4139   75.5678       12.5657   13.1763       25.3619   24.6921
 5     -0.2388   -0.7548       40.5072   40.5366      -13.2112  -13.1763
 6    -65.9245  -65.2287        0.4050    0.7548      -75.3419  -75.5678
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0002    0.0006    0.0007    2.7454    3.6231    7.2845
 Low frequencies ---   21.9162   38.6948   48.0069
 Diagonal vibrational polarizability:
       34.3937459      29.8762995      10.2499969
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     21.8979                38.6888                48.0036
 Red. masses --      3.9123                 7.5997                 3.5819
 Frc consts  --      0.0011                 0.0067                 0.0049
 IR Inten    --      0.4615                 0.8274                 0.2989
 RamAct Fr= 1--      0.6516                 1.2644                 0.8778
  Dep-P Fr= 1--      0.7458                 0.6861                 0.7477
  Dep-U Fr= 1--      0.8544                 0.8138                 0.8556
 Alpha2 Fr= 1--      0.0000                 0.0014                 0.0000
 Beta2  Fr= 1--      0.0928                 0.1715                 0.1252
 AlphaG Fr= 1--     -0.0007                 0.0066                -0.0011
 Gamma2 Fr= 1--     -0.1435                -0.2427                -0.3883
 Delta2 Fr= 1--     -0.2693                 0.1623                -0.2327
 Raman1 Fr= 1--       2.607                  5.058                  3.511
 ROA1   Fr= 1--     -22.399                -18.109                -44.723
 CID1   Fr= 1--      -8.593                 -3.581                -12.737
 Raman2 Fr= 1--       1.114                  2.058                  1.502
 ROA2   Fr= 1--      -1.291                 -7.125                 -7.457
 CID2   Fr= 1--      -1.159                 -3.462                 -4.964
 Raman3 Fr= 1--       2.227                  4.116                  3.004
 ROA3   Fr= 1--     -22.399                -18.109                -44.723
 CID3   Fr= 1--     -10.058                 -4.400                -14.886
 RC180  Fr= 1--       0.709                  0.628                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.05    -0.01  -0.06  -0.02     0.02   0.09   0.01
     2   6     0.00  -0.03   0.05    -0.01  -0.06  -0.02     0.00  -0.02  -0.03
     3   6    -0.03   0.02   0.01    -0.01  -0.08  -0.03     0.02   0.09   0.02
     4   6    -0.01  -0.05  -0.04    -0.01  -0.10  -0.04     0.00  -0.02  -0.01
     5   6     0.02  -0.10  -0.04    -0.01  -0.12  -0.04    -0.02  -0.14  -0.05
     6   6     0.02  -0.10   0.00    -0.01  -0.10  -0.04    -0.02  -0.13  -0.06
     7   6     0.01  -0.02   0.09    -0.00   0.04   0.01     0.00   0.02  -0.05
     8   6    -0.03   0.03  -0.00    -0.11   0.10   0.06    -0.03   0.03  -0.02
     9   6    -0.10   0.18  -0.05    -0.16   0.06   0.06     0.11  -0.10   0.03
    10   6    -0.01  -0.06  -0.14    -0.20   0.09   0.08    -0.20   0.09   0.13
    11   6    -0.01  -0.03  -0.07    -0.00  -0.01  -0.02     0.01   0.01   0.02
    12   6     0.03  -0.02   0.06     0.16   0.03  -0.01     0.03   0.01  -0.01
    13   8    -0.02  -0.12   0.11     0.51   0.12  -0.00    -0.11  -0.00  -0.02
    14   8     0.15   0.12   0.11    -0.08  -0.03  -0.02     0.20   0.04  -0.01
    15   1    -0.04   0.08   0.09    -0.01  -0.04  -0.01     0.04   0.17   0.03
    16   1    -0.05   0.07   0.01    -0.01  -0.07  -0.02     0.04   0.17   0.05
    17   1     0.04  -0.15  -0.07    -0.02  -0.14  -0.05    -0.03  -0.22  -0.08
    18   1     0.04  -0.15  -0.00    -0.01  -0.11  -0.04    -0.04  -0.21  -0.09
    19   1     0.04  -0.11   0.12     0.04   0.08   0.02    -0.01   0.06  -0.06
    20   1     0.01   0.05   0.18     0.05   0.07   0.01     0.03   0.01  -0.08
    21   1    -0.02   0.03   0.06    -0.09   0.19   0.06    -0.04   0.11  -0.15
    22   1    -0.11   0.18  -0.12    -0.18  -0.03   0.06     0.13  -0.17   0.16
    23   1    -0.12   0.21  -0.10    -0.23   0.10   0.09     0.10  -0.09   0.03
    24   1    -0.11   0.24   0.05    -0.10   0.07   0.05     0.23  -0.14  -0.08
    25   1     0.04  -0.17  -0.11    -0.17   0.13   0.08    -0.30   0.19   0.09
    26   1    -0.03  -0.03  -0.20    -0.27   0.14   0.11    -0.23   0.11   0.13
    27   1    -0.02  -0.06  -0.21    -0.22   0.00   0.08    -0.20   0.01   0.27
    28   1    -0.05  -0.12  -0.11    -0.01   0.01  -0.01     0.02   0.03   0.02
    29   6    -0.02   0.10  -0.16    -0.08   0.04  -0.00    -0.04   0.02   0.04
    30   1     0.18   0.11   0.19     0.08   0.01  -0.02     0.19   0.04  -0.03
    31   1    -0.01   0.20  -0.12    -0.06   0.01  -0.01    -0.06   0.01   0.04
    32   1    -0.02   0.11  -0.16    -0.07   0.13   0.01    -0.03   0.04   0.08
    33   1    -0.05   0.09  -0.27    -0.16   0.02   0.01    -0.05   0.01   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --     60.6395                91.0160               116.7064
 Red. masses --      4.3923                 2.8783                 4.4344
 Frc consts  --      0.0095                 0.0140                 0.0356
 IR Inten    --      0.2323                 0.0469                 0.0204
 RamAct Fr= 1--      2.8950                 1.8940                 2.6621
  Dep-P Fr= 1--      0.7452                 0.7495                 0.7040
  Dep-U Fr= 1--      0.8540                 0.8568                 0.8263
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0021
 Beta2  Fr= 1--      0.4121                 0.2705                 0.3666
 AlphaG Fr= 1--     -0.0008                 0.0005                 0.0009
 Gamma2 Fr= 1--      0.3440                 0.3982                -0.3197
 Delta2 Fr= 1--      0.2633                 0.1752                -0.0746
 Raman1 Fr= 1--      11.580                  7.576                 10.648
 ROA1   Fr= 1--      41.445                 43.832                -33.078
 CID1   Fr= 1--       3.579                  5.786                 -3.106
 Raman2 Fr= 1--       4.945                  3.246                  4.399
 ROA2   Fr= 1--       6.149                  8.154                 -7.075
 CID2   Fr= 1--       1.243                  2.512                 -1.608
 Raman3 Fr= 1--       9.889                  6.491                  8.799
 ROA3   Fr= 1--      41.445                 43.832                -33.078
 CID3   Fr= 1--       4.191                  6.753                 -3.759
 RC180  Fr= 1--       0.708                  0.714                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.20  -0.07     0.03   0.11  -0.04    -0.07   0.03   0.02
     2   6     0.02  -0.06  -0.04    -0.00   0.03  -0.08    -0.07   0.13   0.04
     3   6     0.03  -0.18  -0.04     0.04   0.11  -0.02    -0.09  -0.09  -0.01
     4   6     0.03  -0.02   0.03     0.00   0.00  -0.03    -0.10  -0.12  -0.01
     5   6     0.02   0.07   0.05    -0.03  -0.09  -0.08    -0.10  -0.02   0.02
     6   6     0.01   0.05   0.01    -0.03  -0.07  -0.10    -0.09   0.11   0.05
     7   6     0.02   0.01  -0.03     0.00   0.03  -0.07    -0.07   0.10   0.01
     8   6    -0.07   0.05   0.01     0.02  -0.02   0.07     0.06   0.02  -0.01
     9   6    -0.22   0.06  -0.00    -0.17  -0.03   0.06     0.15   0.03  -0.01
    10   6    -0.04   0.02  -0.03     0.20   0.01   0.04     0.18   0.06  -0.01
    11   6     0.04   0.04   0.08     0.01  -0.00   0.03    -0.10  -0.09   0.00
    12   6     0.04   0.04  -0.01     0.00  -0.01   0.03     0.06  -0.05  -0.02
    13   8    -0.12   0.06  -0.06    -0.01  -0.01   0.03     0.10  -0.01  -0.04
    14   8     0.24   0.02  -0.04     0.00  -0.01   0.03     0.20  -0.04  -0.03
    15   1     0.03  -0.30  -0.12     0.05   0.18  -0.03    -0.06   0.04   0.01
    16   1     0.04  -0.27  -0.06     0.07   0.18   0.02    -0.08  -0.16  -0.02
    17   1     0.01   0.18   0.10    -0.06  -0.17  -0.09    -0.11  -0.03   0.03
    18   1     0.00   0.14   0.04    -0.06  -0.13  -0.13    -0.09   0.18   0.07
    19   1     0.05   0.05  -0.04     0.02   0.13  -0.09    -0.12   0.09  -0.00
    20   1     0.05   0.02  -0.05    -0.03  -0.04  -0.14    -0.10   0.06  -0.02
    21   1    -0.04   0.09   0.11     0.03  -0.07   0.22     0.03  -0.10  -0.05
    22   1    -0.25   0.02  -0.10    -0.18   0.07  -0.09     0.19   0.13   0.03
    23   1    -0.27   0.09   0.04    -0.12  -0.11   0.17     0.25  -0.03  -0.03
    24   1    -0.24   0.09   0.04    -0.36  -0.08   0.10     0.10   0.00  -0.02
    25   1     0.06   0.01  -0.02     0.40   0.03   0.05     0.14   0.04  -0.01
    26   1    -0.09   0.05   0.01     0.17  -0.00   0.18     0.27  -0.00  -0.02
    27   1    -0.06  -0.01  -0.13     0.17   0.02  -0.15     0.21   0.17  -0.00
    28   1     0.06   0.11   0.11     0.06   0.01   0.04    -0.11  -0.06   0.01
    29   6    -0.01  -0.01   0.15    -0.04  -0.02   0.09    -0.18  -0.04   0.02
    30   1     0.20   0.02  -0.10    -0.01  -0.01   0.02     0.32  -0.01  -0.06
    31   1    -0.01  -0.08   0.13    -0.11  -0.04   0.07    -0.15  -0.08   0.01
    32   1    -0.00   0.04   0.17    -0.03  -0.03   0.15    -0.17   0.07   0.03
    33   1    -0.04  -0.01   0.22    -0.03  -0.02   0.08    -0.28  -0.06   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    162.9938               199.9986               232.8944
 Red. masses --      3.7665                 3.0282                 1.1623
 Frc consts  --      0.0590                 0.0714                 0.0371
 IR Inten    --      0.1605                 0.0179                 0.0103
 RamAct Fr= 1--      0.5598                 0.3091                 0.2927
  Dep-P Fr= 1--      0.1209                 0.2532                 0.7474
  Dep-U Fr= 1--      0.2157                 0.4041                 0.8554
 Alpha2 Fr= 1--      0.0093                 0.0036                 0.0000
 Beta2  Fr= 1--      0.0201                 0.0208                 0.0417
 AlphaG Fr= 1--     -0.0056                -0.0083                -0.0002
 Gamma2 Fr= 1--     -0.2538                 0.4533                 0.3094
 Delta2 Fr= 1--     -0.1504                 0.3305                 0.1205
 Raman1 Fr= 1--       2.239                  1.236                  1.171
 ROA1   Fr= 1--     -29.174                 54.096                 33.554
 CID1   Fr= 1--     -13.029                 43.759                 28.663
 Raman2 Fr= 1--       0.242                  0.250                  0.501
 ROA2   Fr= 1--      -4.888                  8.236                  6.461
 CID2   Fr= 1--     -20.238                 32.973                 12.904
 Raman3 Fr= 1--       0.483                  0.500                  1.001
 ROA3   Fr= 1--     -29.174                 54.096                 33.554
 CID3   Fr= 1--     -60.397                108.287                 33.507
 RC180  Fr= 1--      -0.569                 -0.192                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.09   0.06     0.04  -0.08   0.04     0.01   0.04   0.00
     2   6    -0.05   0.03   0.01     0.01  -0.05   0.02     0.01   0.02  -0.00
     3   6     0.02   0.10   0.12     0.03  -0.09   0.08     0.01   0.03  -0.00
     4   6    -0.00   0.05   0.11     0.00  -0.07   0.11     0.01  -0.00  -0.01
     5   6    -0.05   0.08   0.10    -0.02  -0.13   0.08     0.02   0.03  -0.00
     6   6    -0.07   0.08   0.05    -0.03  -0.11   0.04     0.02   0.04  -0.00
     7   6    -0.08  -0.02  -0.10     0.01   0.06  -0.08     0.01  -0.02   0.00
     8   6    -0.07  -0.04  -0.05     0.02   0.05  -0.04    -0.00  -0.01   0.00
     9   6    -0.14  -0.10  -0.04     0.01  -0.01  -0.03    -0.02  -0.02   0.00
    10   6    -0.05  -0.01  -0.02     0.09   0.11  -0.00    -0.03  -0.03  -0.00
    11   6    -0.02  -0.05   0.01    -0.01   0.02   0.03     0.01  -0.01  -0.01
    12   6     0.04  -0.04  -0.01    -0.02   0.03   0.00     0.01  -0.02   0.00
    13   8     0.09  -0.01  -0.02    -0.07   0.06  -0.03    -0.00  -0.03   0.01
    14   8     0.13  -0.04  -0.02    -0.07  -0.02  -0.02     0.00  -0.02   0.00
    15   1     0.04   0.10   0.03     0.06  -0.07   0.02     0.01   0.05   0.00
    16   1     0.04   0.12   0.13     0.07  -0.10   0.10     0.01   0.04  -0.00
    17   1    -0.09   0.08   0.13    -0.04  -0.15   0.09     0.02   0.04  -0.00
    18   1    -0.10   0.07   0.04    -0.07  -0.12   0.02     0.02   0.05   0.00
    19   1    -0.15   0.05  -0.13    -0.06   0.15  -0.12     0.01  -0.02   0.00
    20   1    -0.05  -0.06  -0.17     0.10   0.03  -0.18    -0.01  -0.02   0.01
    21   1    -0.07  -0.04  -0.02     0.02   0.03  -0.04     0.00   0.00   0.01
    22   1    -0.13  -0.04  -0.09     0.03   0.09  -0.06    -0.04  -0.06  -0.00
    23   1    -0.09  -0.16   0.04     0.10  -0.09   0.03    -0.07   0.01   0.00
    24   1    -0.24  -0.16  -0.06    -0.10  -0.07  -0.07     0.01  -0.00   0.00
    25   1     0.01   0.04  -0.02     0.23   0.20  -0.00    -0.05  -0.05  -0.00
    26   1    -0.07  -0.01   0.05     0.04   0.11   0.15    -0.03  -0.02  -0.03
    27   1    -0.06  -0.03  -0.05     0.06   0.07  -0.11    -0.03  -0.04   0.02
    28   1    -0.11  -0.09  -0.02    -0.13  -0.01  -0.01     0.01  -0.01  -0.01
    29   6     0.18  -0.06  -0.14     0.03   0.15  -0.12    -0.04   0.01   0.01
    30   1     0.24  -0.01  -0.04    -0.13  -0.03  -0.05    -0.02  -0.03  -0.00
    31   1     0.27   0.02  -0.09     0.30   0.12  -0.08     0.37  -0.35  -0.04
    32   1     0.15  -0.19  -0.27     0.01   0.37  -0.34    -0.06   0.49  -0.30
    33   1     0.29  -0.04  -0.17    -0.18   0.10  -0.06    -0.46  -0.08   0.38
                     10                     11                     12
                      A                      A                      A
 Frequencies --    248.2536               255.2333               269.0494
 Red. masses --      1.0957                 2.4751                 1.0826
 Frc consts  --      0.0398                 0.0950                 0.0462
 IR Inten    --      0.0150                 0.1219                 0.4622
 RamAct Fr= 1--      0.3413                 0.9269                 1.0318
  Dep-P Fr= 1--      0.7424                 0.7125                 0.1568
  Dep-U Fr= 1--      0.8522                 0.8321                 0.2711
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0157
 Beta2  Fr= 1--      0.0485                 0.1285                 0.0466
 AlphaG Fr= 1--     -0.0024                -0.0007                 0.0014
 Gamma2 Fr= 1--     -0.2650                 0.1523                 0.0070
 Delta2 Fr= 1--     -0.0451                 0.1521                -0.0406
 Raman1 Fr= 1--       1.365                  3.708                  4.127
 ROA1   Fr= 1--     -26.884                 19.492                 -0.629
 CID1   Fr= 1--     -19.690                  5.257                 -0.152
 Raman2 Fr= 1--       0.582                  1.543                  0.559
 ROA2   Fr= 1--      -5.999                  2.439                  0.492
 CID2   Fr= 1--     -10.312                  1.581                  0.880
 Raman3 Fr= 1--       1.163                  3.085                  1.119
 ROA3   Fr= 1--     -26.884                 19.492                 -0.629
 CID3   Fr= 1--     -23.106                  6.318                 -0.563
 RC180  Fr= 1--       0.704                  0.664                 -0.458
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01    -0.05  -0.06  -0.02     0.01   0.00  -0.01
     2   6     0.01  -0.00   0.02    -0.05  -0.04  -0.02     0.00  -0.00  -0.01
     3   6    -0.01  -0.00  -0.01    -0.04  -0.03  -0.01     0.01   0.00  -0.00
     4   6     0.00   0.00  -0.02    -0.02   0.02   0.00     0.01  -0.00  -0.00
     5   6     0.02   0.02  -0.01    -0.04  -0.04  -0.02     0.01   0.00  -0.00
     6   6     0.02   0.01   0.01    -0.05  -0.08  -0.03     0.01   0.00  -0.01
     7   6     0.00  -0.01   0.01    -0.04   0.02   0.01    -0.00  -0.01   0.00
     8   6    -0.00   0.00  -0.01    -0.02   0.02   0.01    -0.01  -0.01   0.01
     9   6     0.03   0.00  -0.01     0.05   0.05   0.01    -0.02   0.02  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.04   0.02    -0.02  -0.00   0.02
    11   6     0.00   0.00  -0.01    -0.01   0.04  -0.02     0.02  -0.00   0.01
    12   6     0.00  -0.00  -0.01    -0.02   0.05  -0.02     0.01  -0.01   0.01
    13   8     0.01  -0.02   0.00     0.02  -0.01   0.02    -0.01   0.00  -0.00
    14   8    -0.00   0.02   0.00    -0.00   0.16   0.03     0.00  -0.04  -0.00
    15   1    -0.02   0.00   0.02    -0.05  -0.08  -0.03     0.02   0.00  -0.01
    16   1    -0.02  -0.01  -0.02    -0.05  -0.03  -0.02     0.02   0.00  -0.00
    17   1     0.03   0.03  -0.01    -0.04  -0.04  -0.02     0.01   0.01  -0.00
    18   1     0.03   0.01   0.02    -0.04  -0.10  -0.04     0.01   0.01  -0.01
    19   1    -0.01  -0.02   0.01    -0.02   0.02   0.02     0.01  -0.01   0.00
    20   1     0.01   0.00   0.02    -0.03   0.03   0.02    -0.01  -0.01   0.01
    21   1    -0.00   0.01  -0.03    -0.03  -0.03  -0.01    -0.01  -0.01   0.00
    22   1     0.11   0.38  -0.07     0.08   0.20   0.02     0.06   0.43  -0.11
    23   1     0.34  -0.24   0.06     0.17  -0.03  -0.02     0.30  -0.23   0.07
    24   1    -0.33  -0.13  -0.02    -0.06   0.02   0.02    -0.41  -0.10   0.03
    25   1     0.33   0.13   0.01    -0.06   0.02   0.01    -0.40  -0.11   0.00
    26   1    -0.34   0.13   0.26     0.16  -0.03  -0.04     0.23  -0.12  -0.24
    27   1    -0.16  -0.30  -0.27     0.09   0.16   0.09     0.08   0.23   0.31
    28   1     0.02   0.01  -0.01    -0.03   0.10  -0.00     0.02  -0.02   0.00
    29   6    -0.02  -0.02   0.02     0.15  -0.17   0.02    -0.01   0.04  -0.00
    30   1    -0.00   0.01   0.02     0.02   0.15   0.11    -0.01  -0.04  -0.03
    31   1    -0.03  -0.05   0.00     0.40  -0.46  -0.04    -0.02   0.07   0.01
    32   1    -0.02   0.00   0.03     0.11  -0.11  -0.24    -0.00   0.05   0.02
    33   1    -0.03  -0.02   0.04     0.13  -0.16   0.37    -0.02   0.03  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    283.3657               335.0054               359.1586
 Red. masses --      3.3458                 3.7323                 3.0804
 Frc consts  --      0.1583                 0.2468                 0.2341
 IR Inten    --      0.2211                 0.9197                 0.4476
 RamAct Fr= 1--      0.6747                 1.7893                 1.6515
  Dep-P Fr= 1--      0.7449                 0.7349                 0.4725
  Dep-U Fr= 1--      0.8538                 0.8472                 0.6418
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0092
 Beta2  Fr= 1--      0.0960                 0.2526                 0.1766
 AlphaG Fr= 1--      0.0001                -0.0011                 0.0076
 Gamma2 Fr= 1--     -0.6878                -0.1221                 0.8900
 Delta2 Fr= 1--     -0.0033                -0.7447                 0.5259
 Raman1 Fr= 1--       2.699                  7.157                  6.606
 ROA1   Fr= 1--     -66.131                -35.553                102.274
 CID1   Fr= 1--     -24.505                 -4.967                 15.482
 Raman2 Fr= 1--       1.152                  3.032                  2.120
 ROA2   Fr= 1--     -16.480                  3.027                 17.154
 CID2   Fr= 1--     -14.304                  0.999                  8.092
 Raman3 Fr= 1--       2.304                  6.063                  4.240
 ROA3   Fr= 1--     -66.131                -35.553                102.274
 CID3   Fr= 1--     -28.700                 -5.864                 24.123
 RC180  Fr= 1--       0.708                  0.694                  0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.13     0.11   0.08  -0.03     0.04  -0.04  -0.03
     2   6     0.05  -0.02   0.14     0.04   0.14  -0.04     0.01  -0.14  -0.07
     3   6    -0.02   0.01   0.03     0.10  -0.10   0.05     0.05   0.09   0.07
     4   6     0.02  -0.03  -0.02     0.01  -0.15   0.08    -0.00   0.05   0.08
     5   6     0.09  -0.01   0.02    -0.05  -0.10   0.07    -0.01   0.09   0.10
     6   6     0.10   0.00   0.12    -0.04   0.10   0.00    -0.03  -0.04  -0.00
     7   6     0.03   0.00  -0.05     0.04   0.06  -0.05     0.02  -0.08  -0.09
     8   6     0.00   0.03  -0.11     0.05  -0.02   0.08     0.01  -0.07   0.02
     9   6    -0.11  -0.13  -0.09     0.00  -0.00   0.08     0.03   0.17  -0.03
    10   6     0.03   0.11  -0.02    -0.08  -0.17  -0.04     0.02   0.00   0.13
    11   6     0.00   0.00  -0.09    -0.00  -0.01  -0.03    -0.04  -0.03  -0.04
    12   6     0.00   0.01  -0.08     0.01   0.04  -0.09    -0.02  -0.03  -0.07
    13   8     0.02  -0.08  -0.01    -0.01  -0.03  -0.04     0.04  -0.09  -0.02
    14   8    -0.04   0.14  -0.02    -0.06   0.18  -0.02    -0.01   0.06  -0.04
    15   1    -0.05   0.02   0.18     0.19   0.11  -0.07     0.07  -0.03  -0.04
    16   1    -0.08   0.03   0.02     0.18  -0.16   0.07     0.11   0.15   0.12
    17   1     0.14  -0.01  -0.02    -0.12  -0.15   0.11    -0.02   0.17   0.14
    18   1     0.16   0.01   0.15    -0.13   0.16  -0.02    -0.07  -0.02  -0.02
    19   1    -0.13   0.00  -0.08     0.03   0.20  -0.09     0.03   0.07  -0.13
    20   1     0.15   0.03  -0.10    -0.04  -0.07  -0.17     0.06  -0.15  -0.20
    21   1     0.01   0.06  -0.09     0.06   0.02   0.10     0.01  -0.08   0.02
    22   1    -0.14  -0.19  -0.17     0.00   0.03   0.05     0.03   0.22  -0.08
    23   1    -0.16  -0.14   0.09     0.02  -0.02   0.10     0.01   0.25  -0.29
    24   1    -0.16  -0.21  -0.17    -0.04  -0.01   0.09     0.08   0.35   0.18
    25   1    -0.15   0.15  -0.05    -0.16  -0.37  -0.01     0.00   0.17   0.09
    26   1     0.20   0.01  -0.06    -0.16  -0.06  -0.27     0.02  -0.03   0.26
    27   1     0.10   0.26   0.14    -0.10  -0.25  -0.01     0.02  -0.01   0.20
    28   1     0.01   0.08  -0.06    -0.11   0.09  -0.01    -0.09   0.01  -0.04
    29   6    -0.10  -0.07   0.05    -0.02  -0.03  -0.00    -0.12  -0.01  -0.01
    30   1    -0.07   0.12   0.11    -0.13   0.14   0.14     0.06   0.06   0.05
    31   1    -0.26  -0.13   0.00    -0.10  -0.00  -0.01    -0.19  -0.02  -0.03
    32   1    -0.08  -0.07   0.22    -0.01  -0.08   0.07    -0.09   0.04   0.09
    33   1    -0.08  -0.06   0.08     0.03  -0.02  -0.04    -0.17  -0.03  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    391.9542               406.6735               409.7655
 Red. masses --      2.5316                 2.8265                 2.4905
 Frc consts  --      0.2292                 0.2754                 0.2464
 IR Inten    --      0.7566                 0.5987                 0.7956
 RamAct Fr= 1--      1.7834                 4.9619                 1.6303
  Dep-P Fr= 1--      0.3414                 0.1041                 0.2057
  Dep-U Fr= 1--      0.5090                 0.1885                 0.3412
 Alpha2 Fr= 1--      0.0161                 0.0860                 0.0218
 Beta2  Fr= 1--      0.1513                 0.1559                 0.0927
 AlphaG Fr= 1--      0.0131                 0.0075                 0.0264
 Gamma2 Fr= 1--     -0.0461                -0.4291                 1.1353
 Delta2 Fr= 1--     -0.1152                -0.2959                 0.2969
 Raman1 Fr= 1--       7.134                 19.848                  6.521
 ROA1   Fr= 1--      -8.108                -50.660                118.485
 CID1   Fr= 1--      -1.137                 -2.552                 18.169
 Raman2 Fr= 1--       1.816                  1.871                  1.113
 ROA2   Fr= 1--      -0.184                 -7.930                 24.872
 CID2   Fr= 1--      -0.101                 -4.239                 22.356
 Raman3 Fr= 1--       3.631                  3.742                  2.225
 ROA3   Fr= 1--      -8.108                -50.660                118.485
 CID3   Fr= 1--      -2.233                -13.539                 53.250
 RC180  Fr= 1--       0.018                 -0.623                 -0.318
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.01     0.03  -0.01  -0.10     0.01  -0.05  -0.06
     2   6    -0.01   0.10   0.02     0.09  -0.02  -0.08    -0.06   0.00  -0.07
     3   6    -0.00  -0.07  -0.02     0.03   0.05   0.00     0.05   0.05   0.08
     4   6     0.00  -0.09  -0.04    -0.07   0.01   0.06     0.05  -0.02   0.06
     5   6    -0.01  -0.09  -0.04    -0.02  -0.02   0.06    -0.04  -0.04   0.01
     6   6     0.01   0.09   0.01     0.00   0.01  -0.01    -0.05   0.07  -0.05
     7   6    -0.02  -0.08   0.03     0.16  -0.04   0.10    -0.06  -0.04   0.13
     8   6     0.06  -0.12  -0.07     0.10   0.05  -0.04    -0.09   0.02  -0.03
     9   6    -0.05   0.06  -0.14    -0.03  -0.06  -0.03     0.00  -0.04  -0.01
    10   6    -0.01   0.01   0.15    -0.00   0.04  -0.01     0.03   0.07  -0.03
    11   6     0.03   0.01   0.02    -0.15  -0.04   0.01     0.08   0.01   0.00
    12   6     0.02   0.03   0.02    -0.10   0.01   0.03     0.07  -0.02  -0.07
    13   8    -0.03   0.05  -0.00     0.00   0.10   0.00     0.01  -0.12  -0.03
    14   8    -0.01   0.01   0.02     0.01   0.02   0.03    -0.02   0.04  -0.04
    15   1     0.02   0.08   0.00     0.02  -0.03  -0.10     0.09  -0.10  -0.14
    16   1    -0.01  -0.09  -0.04     0.14   0.06   0.06     0.09   0.12   0.12
    17   1    -0.03  -0.14  -0.05    -0.01  -0.02   0.05    -0.12  -0.10   0.06
    18   1     0.02   0.13   0.02    -0.10   0.07  -0.04    -0.07   0.15  -0.04
    19   1    -0.04  -0.24   0.06     0.32  -0.34   0.20     0.13  -0.38   0.26
    20   1    -0.13  -0.05   0.14     0.06   0.14   0.40    -0.18   0.16   0.48
    21   1     0.06  -0.12  -0.07     0.12   0.12  -0.02    -0.10  -0.02  -0.05
    22   1    -0.10   0.06  -0.33    -0.06  -0.07  -0.14     0.03  -0.04   0.10
    23   1    -0.15   0.16  -0.25    -0.05  -0.10   0.16     0.05  -0.09   0.02
    24   1    -0.09   0.21   0.07    -0.14  -0.14  -0.08     0.03  -0.11  -0.10
    25   1    -0.05   0.32   0.08    -0.06   0.07  -0.02     0.12   0.12  -0.02
    26   1    -0.06  -0.02   0.38    -0.03   0.07  -0.03     0.09   0.01   0.08
    27   1    -0.01  -0.10   0.30    -0.00  -0.02   0.07     0.04   0.16  -0.12
    28   1     0.03   0.01   0.02    -0.18  -0.08  -0.01     0.03   0.08   0.02
    29   6     0.06   0.00   0.01    -0.07  -0.09  -0.07     0.02   0.07   0.04
    30   1    -0.09  -0.01   0.01     0.25   0.08   0.02    -0.17  -0.00   0.03
    31   1     0.08   0.02   0.02    -0.01  -0.09  -0.06    -0.05   0.10   0.04
    32   1     0.05  -0.04  -0.03    -0.09  -0.15  -0.15     0.04   0.13   0.12
    33   1     0.10   0.02   0.01    -0.02  -0.08  -0.04    -0.04   0.05  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    423.5012               490.3380               559.2527
 Red. masses --      2.8423                 3.4755                 2.6828
 Frc consts  --      0.3004                 0.4923                 0.4944
 IR Inten    --      0.0991                 3.5355                20.3893
 RamAct Fr= 1--      0.0417                 0.9318                 0.2479
  Dep-P Fr= 1--      0.3780                 0.2843                 0.7170
  Dep-U Fr= 1--      0.5486                 0.4427                 0.8352
 Alpha2 Fr= 1--      0.0003                 0.0100                 0.0001
 Beta2  Fr= 1--      0.0038                 0.0688                 0.0345
 AlphaG Fr= 1--     -0.0094                -0.0007                -0.0004
 Gamma2 Fr= 1--     -0.0742                 0.0671                 0.2228
 Delta2 Fr= 1--     -0.0561                 0.0225                 0.0508
 Raman1 Fr= 1--       0.167                  3.727                  0.992
 ROA1   Fr= 1--      -8.921                  7.160                 23.013
 CID1   Fr= 1--     -53.491                  1.921                 23.207
 Raman2 Fr= 1--       0.046                  0.825                  0.414
 ROA2   Fr= 1--      -1.333                  1.429                  4.940
 CID2   Fr= 1--     -29.139                  1.732                 11.929
 Raman3 Fr= 1--       0.091                  1.650                  0.828
 ROA3   Fr= 1--      -8.921                  7.160                 23.013
 CID3   Fr= 1--     -97.508                  4.339                 27.787
 RC180  Fr= 1--       0.097                 -0.115                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.20   0.04    -0.07  -0.07  -0.03     0.07  -0.06   0.00
     2   6    -0.01   0.01  -0.03     0.00   0.11   0.04    -0.01   0.17   0.05
     3   6    -0.00  -0.19  -0.04    -0.07   0.00  -0.00     0.08  -0.04   0.04
     4   6     0.01  -0.01   0.03    -0.03   0.18   0.06     0.10   0.16   0.07
     5   6     0.01   0.18   0.08    -0.06  -0.00   0.01     0.06  -0.02  -0.01
     6   6    -0.04  -0.17  -0.09    -0.06  -0.08  -0.01     0.04  -0.03  -0.05
     7   6    -0.01  -0.02   0.06     0.06   0.09   0.03    -0.11   0.03   0.02
     8   6    -0.01   0.00  -0.02     0.22   0.02  -0.02    -0.07  -0.04  -0.01
     9   6    -0.01  -0.02  -0.01    -0.02  -0.02  -0.05    -0.01  -0.00  -0.02
    10   6     0.01   0.03   0.00    -0.01  -0.05   0.03    -0.00  -0.01   0.01
    11   6     0.01  -0.00   0.00     0.00   0.08   0.03     0.01  -0.02  -0.07
    12   6     0.01  -0.00  -0.02    -0.00  -0.03  -0.06    -0.07  -0.02   0.03
    13   8     0.00  -0.02  -0.01     0.05  -0.17   0.03    -0.00   0.06  -0.01
    14   8    -0.01   0.02  -0.01     0.01  -0.03  -0.07    -0.01  -0.01   0.03
    15   1     0.09   0.41   0.09    -0.12  -0.25  -0.08     0.11  -0.33  -0.15
    16   1    -0.00  -0.40  -0.10    -0.08  -0.14  -0.05     0.05  -0.32  -0.05
    17   1     0.00   0.39   0.17    -0.07  -0.15  -0.05    -0.01  -0.31  -0.07
    18   1    -0.09  -0.37  -0.16    -0.11  -0.26  -0.08     0.05  -0.33  -0.13
    19   1     0.07  -0.18   0.11    -0.00   0.06   0.02    -0.14  -0.01   0.02
    20   1    -0.06   0.07   0.21     0.00   0.06   0.01    -0.17   0.01   0.04
    21   1    -0.01  -0.00  -0.02     0.22   0.01  -0.02    -0.08  -0.09  -0.02
    22   1    -0.01  -0.04  -0.01    -0.11  -0.10  -0.34     0.01   0.02   0.04
    23   1    -0.02  -0.03   0.02    -0.16   0.02   0.15     0.02   0.00  -0.10
    24   1    -0.01  -0.04  -0.04    -0.17  -0.03   0.01     0.03   0.02  -0.00
    25   1     0.02   0.06  -0.00    -0.17  -0.03   0.01     0.03   0.02   0.01
    26   1     0.04   0.00   0.04    -0.18   0.10  -0.08     0.04  -0.06   0.08
    27   1     0.02   0.05  -0.00    -0.05  -0.29   0.22     0.01   0.04  -0.02
    28   1    -0.01   0.02   0.01    -0.01   0.13   0.05     0.02  -0.11  -0.10
    29   6    -0.00   0.01   0.01     0.04   0.09   0.06    -0.08  -0.06  -0.06
    30   1    -0.04   0.01   0.02     0.06  -0.01  -0.12     0.37   0.08   0.04
    31   1    -0.01   0.03   0.01     0.04   0.10   0.06    -0.19  -0.14  -0.11
    32   1     0.00   0.02   0.03     0.04   0.10   0.06    -0.05   0.03   0.07
    33   1    -0.01   0.01  -0.01     0.02   0.08   0.05    -0.17  -0.08  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    585.9070               611.1952               639.8066
 Red. masses --      1.7350                 2.7718                 2.1868
 Frc consts  --      0.3509                 0.6101                 0.5274
 IR Inten    --     53.6677                39.0599                41.5169
 RamAct Fr= 1--      1.1561                 0.8935                 1.8003
  Dep-P Fr= 1--      0.3140                 0.3684                 0.5675
  Dep-U Fr= 1--      0.4780                 0.5384                 0.7241
 Alpha2 Fr= 1--      0.0114                 0.0074                 0.0062
 Beta2  Fr= 1--      0.0921                 0.0802                 0.2173
 AlphaG Fr= 1--     -0.0294                -0.0160                 0.0269
 Gamma2 Fr= 1--     -0.0114                 0.1033                -0.3415
 Delta2 Fr= 1--     -0.0007                 0.2852                -0.3878
 Raman1 Fr= 1--       4.624                  3.574                  7.201
 ROA1   Fr= 1--      -1.121                 19.043                -45.197
 CID1   Fr= 1--      -0.243                  5.328                 -6.276
 Raman2 Fr= 1--       1.105                  0.962                  2.607
 ROA2   Fr= 1--      -0.269                  0.198                 -5.095
 CID2   Fr= 1--      -0.243                  0.206                 -1.954
 Raman3 Fr= 1--       2.210                  1.924                  5.214
 ROA3   Fr= 1--      -1.121                 19.043                -45.197
 CID3   Fr= 1--      -0.507                  9.896                 -8.668
 RC180  Fr= 1--      -0.044                  0.077                  0.448
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04  -0.00    -0.00   0.06  -0.04    -0.05  -0.01   0.00
     2   6     0.04   0.00   0.01     0.06   0.04  -0.02    -0.07  -0.06  -0.05
     3   6     0.00  -0.03  -0.05    -0.02  -0.05  -0.00    -0.03  -0.02   0.11
     4   6    -0.03  -0.00  -0.01    -0.04   0.04   0.05     0.05  -0.10  -0.00
     5   6     0.01  -0.04  -0.01     0.04  -0.07   0.06     0.05   0.00   0.03
     6   6     0.03   0.03   0.03     0.04   0.04   0.01     0.02   0.01  -0.08
     7   6     0.02  -0.05  -0.02     0.04  -0.07  -0.03    -0.05   0.06   0.02
     8   6    -0.07  -0.02   0.00    -0.09  -0.02   0.00     0.07   0.02  -0.00
     9   6    -0.00   0.01   0.01    -0.00   0.01   0.02     0.01  -0.00  -0.02
    10   6    -0.00   0.01  -0.01    -0.01   0.02  -0.01     0.01  -0.01   0.01
    11   6    -0.05   0.03   0.08    -0.08   0.14  -0.08     0.06   0.07  -0.11
    12   6    -0.10  -0.02  -0.03     0.01   0.12   0.03     0.01   0.07   0.03
    13   8     0.02  -0.07   0.01     0.02  -0.07   0.16    -0.03   0.00   0.08
    14   8    -0.05   0.01  -0.05     0.06  -0.08  -0.09    -0.05  -0.06  -0.03
    15   1    -0.01   0.06   0.03    -0.01  -0.00  -0.06     0.06   0.18   0.01
    16   1     0.02  -0.06  -0.05     0.04  -0.17  -0.01    -0.02   0.19   0.17
    17   1     0.05  -0.07  -0.05     0.04  -0.18   0.01    -0.02   0.18   0.15
    18   1     0.02   0.04   0.03    -0.03  -0.01  -0.03     0.05   0.19  -0.02
    19   1     0.02  -0.03  -0.02     0.05  -0.05  -0.03    -0.03   0.07   0.02
    20   1     0.04  -0.05  -0.02     0.04  -0.06  -0.02    -0.05   0.05   0.00
    21   1    -0.06   0.03   0.02    -0.07   0.05   0.03     0.05  -0.06  -0.02
    22   1     0.03   0.05   0.12     0.04   0.06   0.15    -0.03  -0.05  -0.13
    23   1     0.05  -0.01  -0.08     0.07  -0.01  -0.10    -0.06   0.01   0.09
    24   1     0.05   0.02   0.00     0.06   0.02   0.01    -0.05  -0.02  -0.01
    25   1     0.05   0.02  -0.00     0.06   0.03  -0.00    -0.05  -0.03   0.00
    26   1     0.07  -0.05   0.04     0.08  -0.07   0.06    -0.08   0.06  -0.05
    27   1     0.01   0.11  -0.07     0.02   0.14  -0.08    -0.01  -0.13   0.07
    28   1    -0.02   0.08   0.10    -0.14   0.15  -0.09     0.02   0.02  -0.13
    29   6     0.05   0.06   0.06    -0.03  -0.02  -0.03    -0.01  -0.01  -0.02
    30   1     0.84   0.23  -0.05    -0.47  -0.15  -0.50     0.65   0.14  -0.24
    31   1     0.15   0.14   0.10    -0.09  -0.18  -0.10    -0.14  -0.18  -0.10
    32   1     0.02   0.04  -0.06    -0.04  -0.17  -0.01     0.02  -0.03   0.12
    33   1     0.06   0.07  -0.00     0.14   0.04   0.16     0.03   0.01   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --    663.2814               713.8231               759.0098
 Red. masses --      5.5491                 3.0614                 4.0402
 Frc consts  --      1.4384                 0.9191                 1.3713
 IR Inten    --      6.2423                19.8792                11.9231
 RamAct Fr= 1--      5.2350                 0.5769                 5.1682
  Dep-P Fr= 1--      0.6060                 0.2534                 0.0175
  Dep-U Fr= 1--      0.7547                 0.4044                 0.0345
 Alpha2 Fr= 1--      0.0139                 0.0068                 0.1102
 Beta2  Fr= 1--      0.6585                 0.0389                 0.0297
 AlphaG Fr= 1--     -0.0355                 0.0021                -0.0349
 Gamma2 Fr= 1--     -0.2743                -0.1434                -0.8433
 Delta2 Fr= 1--     -0.0961                 0.0657                -0.0191
 Raman1 Fr= 1--      20.940                  2.308                 20.673
 ROA1   Fr= 1--     -29.408                -11.664                -81.569
 CID1   Fr= 1--      -1.404                 -5.055                 -3.946
 Raman2 Fr= 1--       7.901                  0.467                  0.356
 ROA2   Fr= 1--      -5.815                 -3.967                -20.087
 CID2   Fr= 1--      -0.736                 -8.501                -56.354
 Raman3 Fr= 1--      15.803                  0.933                  0.713
 ROA3   Fr= 1--     -29.408                -11.664                -81.569
 CID3   Fr= 1--      -1.861                -12.500               -114.421
 RC180  Fr= 1--       0.509                 -0.191                 -0.931
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.27  -0.09   0.15     0.06  -0.07  -0.02    -0.03  -0.07  -0.12
     2   6    -0.02  -0.05   0.08    -0.02   0.03   0.01     0.10   0.20   0.06
     3   6     0.24   0.03  -0.16     0.07   0.03  -0.01    -0.00   0.15  -0.04
     4   6     0.01  -0.00  -0.10    -0.00  -0.09  -0.03    -0.09  -0.18  -0.05
     5   6    -0.24   0.08  -0.13     0.11   0.03  -0.01     0.01   0.10   0.11
     6   6    -0.22  -0.04   0.17     0.10  -0.06  -0.07    -0.01  -0.13   0.05
     7   6    -0.03   0.02   0.04    -0.13   0.15   0.07     0.04   0.04   0.01
     8   6     0.02   0.01  -0.00    -0.03  -0.01  -0.00    -0.09  -0.03  -0.00
     9   6    -0.00  -0.01  -0.01    -0.00  -0.02  -0.07    -0.02  -0.01  -0.04
    10   6     0.01  -0.01   0.01     0.01  -0.06   0.04    -0.01  -0.04   0.03
    11   6     0.01   0.06  -0.07    -0.13  -0.02   0.12     0.00   0.00  -0.00
    12   6     0.00   0.09   0.03    -0.14   0.01  -0.01     0.24   0.06   0.00
    13   8    -0.01  -0.02   0.10     0.05  -0.03   0.05    -0.07  -0.01  -0.01
    14   8    -0.01  -0.03  -0.06     0.04   0.04  -0.08    -0.07  -0.03   0.02
    15   1     0.23  -0.01   0.21     0.12   0.08  -0.01    -0.15  -0.36  -0.15
    16   1     0.14   0.14  -0.17     0.14   0.28   0.09     0.08   0.22   0.01
    17   1    -0.18   0.17  -0.14     0.18   0.29   0.04     0.10   0.19   0.09
    18   1    -0.10   0.00   0.24     0.19   0.07   0.01    -0.12  -0.39  -0.07
    19   1     0.03  -0.11   0.09    -0.15   0.16   0.06    -0.00   0.04  -0.00
    20   1    -0.06   0.09   0.16    -0.13   0.14   0.04     0.01   0.03   0.02
    21   1     0.01  -0.04  -0.01    -0.07  -0.17  -0.05    -0.06   0.05   0.02
    22   1    -0.01  -0.02  -0.04    -0.01  -0.04  -0.10     0.03   0.05   0.10
    23   1    -0.03   0.00   0.03    -0.03  -0.01  -0.06     0.07  -0.03  -0.19
    24   1    -0.02  -0.01  -0.01    -0.01  -0.02  -0.07     0.06   0.01  -0.05
    25   1    -0.02  -0.01   0.01     0.00  -0.06   0.04     0.07  -0.02   0.03
    26   1    -0.02   0.02  -0.01    -0.01  -0.04   0.04     0.10  -0.14   0.11
    27   1    -0.00  -0.05   0.04     0.00  -0.09   0.05     0.02   0.10  -0.06
    28   1    -0.01   0.03  -0.09    -0.09   0.06   0.16    -0.05   0.05   0.00
    29   6    -0.03  -0.03  -0.05    -0.02   0.00   0.02    -0.00  -0.01  -0.01
    30   1     0.17   0.04  -0.33    -0.35  -0.04  -0.18     0.31   0.07   0.04
    31   1    -0.11  -0.16  -0.11     0.21   0.19   0.13     0.03  -0.05  -0.01
    32   1    -0.02  -0.07   0.02    -0.07  -0.09  -0.24    -0.02  -0.11  -0.05
    33   1     0.03  -0.01   0.07     0.05   0.01  -0.12     0.11   0.03   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --    784.9324               821.1100               828.5640
 Red. masses --      3.0882                 3.4242                 2.7460
 Frc consts  --      1.1210                 1.3602                 1.1107
 IR Inten    --      1.9497                 5.4405                 1.3701
 RamAct Fr= 1--     30.4974                 4.4520                 4.3260
  Dep-P Fr= 1--      0.0194                 0.1364                 0.2482
  Dep-U Fr= 1--      0.0381                 0.2401                 0.3977
 Alpha2 Fr= 1--      0.6476                 0.0712                 0.0515
 Beta2  Fr= 1--      0.1938                 0.1781                 0.2868
 AlphaG Fr= 1--      0.0080                 0.0129                 0.0624
 Gamma2 Fr= 1--     -1.1983                -0.4879                 1.3327
 Delta2 Fr= 1--     -0.0099                 0.2558                 0.0355
 Raman1 Fr= 1--     121.989                 17.808                 17.304
 ROA1   Fr= 1--    -115.352                -38.654                129.075
 CID1   Fr= 1--      -0.946                 -2.171                  7.459
 Raman2 Fr= 1--       2.326                  2.138                  3.441
 ROA2   Fr= 1--     -28.680                -13.756                 31.701
 CID2   Fr= 1--     -12.329                 -6.436                  9.212
 Raman3 Fr= 1--       4.652                  4.275                  6.882
 ROA3   Fr= 1--    -115.352                -38.654                129.075
 CID3   Fr= 1--     -24.794                 -9.042                 18.755
 RC180  Fr= 1--      -0.924                 -0.520                 -0.205
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.04  -0.05     0.01   0.07   0.03    -0.05   0.01   0.05
     2   6     0.04  -0.09  -0.04    -0.03  -0.15  -0.04     0.01   0.00   0.00
     3   6    -0.01  -0.04  -0.08     0.01   0.01  -0.02    -0.06   0.02   0.08
     4   6    -0.03   0.11   0.04    -0.00   0.09   0.04     0.04  -0.04  -0.02
     5   6    -0.01  -0.08   0.05     0.03  -0.00  -0.03    -0.06   0.05  -0.04
     6   6    -0.01  -0.00   0.08     0.05   0.07  -0.01    -0.04   0.02  -0.04
     7   6     0.03   0.19   0.06    -0.06   0.04   0.03     0.15   0.04   0.00
     8   6    -0.11   0.01   0.02     0.01   0.03   0.01    -0.07   0.03   0.02
     9   6    -0.01  -0.04  -0.16     0.01   0.00  -0.03    -0.02  -0.02  -0.10
    10   6     0.02  -0.13   0.10     0.02  -0.01   0.02     0.00  -0.08   0.07
    11   6     0.01   0.06  -0.06    -0.06  -0.07   0.14     0.11  -0.13   0.02
    12   6     0.03  -0.05  -0.02     0.28   0.10   0.01    -0.09   0.05   0.04
    13   8    -0.00  -0.00  -0.06    -0.07  -0.03   0.03     0.01   0.03   0.09
    14   8     0.00  -0.03   0.08    -0.07   0.02  -0.06     0.00   0.06  -0.11
    15   1    -0.02   0.35   0.10     0.00  -0.06  -0.02    -0.08  -0.20  -0.02
    16   1     0.06   0.05  -0.02    -0.03  -0.43  -0.16    -0.17  -0.17  -0.02
    17   1     0.05  -0.01   0.04     0.02  -0.34  -0.17    -0.15  -0.06  -0.02
    18   1    -0.06   0.31   0.15     0.09  -0.03  -0.02    -0.06  -0.10  -0.08
    19   1     0.14   0.22   0.08    -0.02   0.11   0.03     0.22   0.10   0.00
    20   1     0.12   0.24   0.08     0.02   0.05  -0.01     0.23   0.08   0.00
    21   1    -0.12  -0.04   0.00    -0.02  -0.10  -0.04    -0.03   0.18   0.06
    22   1     0.03  -0.01  -0.02    -0.02  -0.05  -0.10     0.04   0.02   0.07
    23   1     0.06  -0.07  -0.24    -0.04   0.01   0.07     0.08  -0.06  -0.19
    24   1     0.07  -0.06  -0.23    -0.03  -0.04  -0.06     0.08  -0.05  -0.19
    25   1     0.10  -0.19   0.13    -0.02  -0.06   0.02     0.11  -0.15   0.10
    26   1     0.10  -0.20   0.13    -0.04   0.04  -0.04     0.12  -0.17   0.10
    27   1     0.03  -0.02   0.01    -0.00  -0.09   0.04     0.03   0.07  -0.05
    28   1    -0.02   0.02  -0.09    -0.06   0.08   0.20     0.17  -0.16   0.02
    29   6     0.01   0.03  -0.01    -0.09  -0.09  -0.04     0.03  -0.04   0.00
    30   1     0.03  -0.04   0.21     0.17   0.08  -0.09    -0.05   0.07  -0.28
    31   1    -0.11  -0.12  -0.08     0.16   0.14   0.07    -0.01   0.13   0.05
    32   1     0.04   0.02   0.13    -0.14  -0.15  -0.32     0.06   0.20   0.08
    33   1     0.04   0.04   0.14    -0.03  -0.08  -0.23    -0.23  -0.13  -0.23
                     31                     32                     33
                      A                      A                      A
 Frequencies --    854.5503               855.6650               869.2262
 Red. masses --      1.2587                 3.3831                 1.9374
 Frc consts  --      0.5416                 1.4594                 0.8624
 IR Inten    --      0.1947                 4.2752                27.3025
 RamAct Fr= 1--      0.7512                12.1769                 3.2988
  Dep-P Fr= 1--      0.5258                 0.1492                 0.0325
  Dep-U Fr= 1--      0.6892                 0.2597                 0.0630
 Alpha2 Fr= 1--      0.0033                 0.1886                 0.0679
 Beta2  Fr= 1--      0.0863                 0.5270                 0.0347
 AlphaG Fr= 1--     -0.0073                -0.1194                 0.0306
 Gamma2 Fr= 1--      0.0900                 1.1765                -0.0625
 Delta2 Fr= 1--      0.0202                 0.1086                 0.1134
 Raman1 Fr= 1--       3.005                 48.708                 13.195
 ROA1   Fr= 1--       9.286                116.424                 -2.370
 CID1   Fr= 1--       3.090                  2.390                 -0.180
 Raman2 Fr= 1--       1.035                  6.324                  0.416
 ROA2   Fr= 1--       1.998                 27.368                 -2.407
 CID2   Fr= 1--       1.930                  4.328                 -5.786
 Raman3 Fr= 1--       2.071                 12.648                  0.832
 ROA3   Fr= 1--       9.286                116.424                 -2.370
 CID3   Fr= 1--       4.484                  9.205                 -2.848
 RC180  Fr= 1--       0.378                 -0.481                 -0.874
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.07  -0.02    -0.05   0.06  -0.15    -0.03  -0.06  -0.02
     2   6    -0.00   0.01   0.00     0.03  -0.05  -0.02     0.02   0.10   0.04
     3   6    -0.01  -0.08  -0.02     0.01   0.05  -0.16    -0.02  -0.07  -0.01
     4   6     0.00   0.01   0.01    -0.04   0.01   0.01     0.03   0.12   0.04
     5   6     0.00   0.07   0.01     0.05  -0.05   0.17    -0.02  -0.08  -0.04
     6   6     0.00   0.07   0.01    -0.01  -0.04   0.16    -0.01  -0.07  -0.03
     7   6     0.01  -0.01   0.01    -0.13   0.01   0.02     0.05  -0.03  -0.00
     8   6    -0.00  -0.00   0.00     0.03  -0.02  -0.01    -0.00  -0.04  -0.01
     9   6     0.00  -0.00  -0.00     0.02   0.01   0.05    -0.01  -0.01   0.03
    10   6    -0.00   0.00   0.00     0.01   0.04  -0.04    -0.02   0.02  -0.03
    11   6     0.00  -0.01   0.01     0.14  -0.12  -0.03     0.03  -0.04   0.06
    12   6     0.01   0.01  -0.00    -0.06   0.04   0.04     0.07   0.03   0.01
    13   8    -0.00  -0.00   0.00     0.00   0.03   0.06    -0.02  -0.00   0.02
    14   8    -0.00   0.00  -0.01     0.00   0.05  -0.08    -0.02   0.02  -0.04
    15   1     0.05   0.45   0.16    -0.16   0.11  -0.06     0.01   0.36   0.13
    16   1     0.05   0.51   0.17     0.14  -0.02  -0.13     0.01   0.35   0.12
    17   1    -0.07  -0.45  -0.16     0.15  -0.14   0.06     0.02   0.45   0.15
    18   1    -0.05  -0.43  -0.15    -0.14  -0.01   0.12     0.05   0.49   0.15
    19   1    -0.00   0.03  -0.00    -0.16  -0.00   0.02    -0.03  -0.03  -0.02
    20   1     0.02  -0.03  -0.02    -0.16  -0.01   0.01    -0.01  -0.08  -0.04
    21   1     0.00   0.02  -0.00    -0.02  -0.20  -0.07     0.02   0.07   0.01
    22   1     0.00   0.00  -0.01    -0.03  -0.03  -0.09     0.01   0.04   0.06
    23   1    -0.00  -0.00  -0.00    -0.07   0.04   0.13     0.02  -0.00  -0.06
    24   1     0.00  -0.00  -0.00    -0.06   0.02   0.10     0.02   0.04   0.08
    25   1     0.01  -0.00   0.00    -0.08   0.08  -0.05     0.01   0.09  -0.04
    26   1     0.01  -0.01   0.01    -0.08   0.11  -0.06     0.04  -0.04   0.05
    27   1     0.00   0.02  -0.02    -0.01  -0.08   0.05     0.00   0.09  -0.03
    28   1     0.00  -0.01   0.01     0.20  -0.21  -0.04     0.06  -0.01   0.07
    29   6    -0.00  -0.01  -0.00     0.06  -0.04   0.00    -0.04  -0.06  -0.04
    30   1    -0.00   0.00  -0.01    -0.02   0.06  -0.22     0.03   0.03  -0.05
    31   1     0.00   0.01   0.00    -0.11   0.08   0.01     0.01   0.07   0.02
    32   1    -0.00   0.01  -0.02     0.13   0.28   0.25    -0.03   0.04  -0.06
    33   1    -0.02  -0.02  -0.03    -0.28  -0.14  -0.18    -0.14  -0.10  -0.19
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.7205               942.8584               959.9284
 Red. masses --      1.5476                 1.2135                 1.6132
 Frc consts  --      0.7397                 0.6356                 0.8758
 IR Inten    --      0.3037                 0.2999                 0.0102
 RamAct Fr= 1--      0.6070                 0.2482                 6.0336
  Dep-P Fr= 1--      0.7309                 0.7465                 0.7465
  Dep-U Fr= 1--      0.8446                 0.8548                 0.8549
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0004
 Beta2  Fr= 1--      0.0854                 0.0354                 0.8597
 AlphaG Fr= 1--     -0.0005                -0.0003                -0.0028
 Gamma2 Fr= 1--      0.2290                -0.0566                -0.7269
 Delta2 Fr= 1--      0.1853                -0.0294                -1.3791
 Raman1 Fr= 1--       2.428                  0.993                 24.135
 ROA1   Fr= 1--      27.912                 -6.379               -113.910
 CID1   Fr= 1--      11.496                 -6.425                 -4.720
 Raman2 Fr= 1--       1.025                  0.424                 10.316
 ROA2   Fr= 1--       4.014                 -1.124                 -6.412
 CID2   Fr= 1--       3.915                 -2.649                 -0.622
 Raman3 Fr= 1--       2.050                  0.849                 20.632
 ROA3   Fr= 1--      27.912                 -6.379               -113.910
 CID3   Fr= 1--      13.612                 -7.516                 -5.521
 RC180  Fr= 1--       0.689                  0.710                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.03    -0.00  -0.00   0.01     0.01   0.09   0.02
     2   6     0.00  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     3   6     0.03   0.01  -0.01    -0.01  -0.00   0.00    -0.00  -0.09  -0.05
     4   6     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.01   0.03   0.01
     5   6    -0.03   0.00  -0.01     0.01  -0.00   0.00     0.01  -0.03   0.01
     6   6    -0.01   0.01  -0.03     0.00  -0.01   0.01     0.00   0.00   0.02
     7   6     0.02  -0.06   0.17    -0.01   0.02  -0.07    -0.05  -0.09  -0.02
     8   6     0.01  -0.02   0.05     0.00  -0.01   0.02     0.01   0.10   0.03
     9   6     0.05  -0.01  -0.05     0.05  -0.06   0.01     0.01   0.04  -0.07
    10   6    -0.05   0.04  -0.02    -0.04   0.04   0.06     0.02  -0.01   0.07
    11   6    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.01   0.01   0.01
    12   6    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.02  -0.02  -0.06    -0.01  -0.01   0.02    -0.07  -0.52  -0.19
    16   1     0.07  -0.06  -0.01    -0.03   0.01   0.00     0.08   0.54   0.16
    17   1    -0.06   0.03   0.03     0.03  -0.01  -0.01     0.04   0.16   0.07
    18   1    -0.03   0.02  -0.04     0.01  -0.00   0.02    -0.01  -0.08  -0.01
    19   1    -0.17   0.49  -0.00     0.08  -0.19   0.01    -0.06  -0.07  -0.03
    20   1     0.13  -0.37  -0.34    -0.07   0.14   0.14    -0.05  -0.08  -0.02
    21   1    -0.02   0.07  -0.21    -0.03   0.10  -0.27     0.01   0.11   0.04
    22   1    -0.05  -0.10  -0.33    -0.02   0.05  -0.37    -0.01  -0.08  -0.00
    23   1    -0.11   0.04   0.14    -0.11   0.10  -0.15     0.01  -0.02   0.15
    24   1    -0.13  -0.03   0.01    -0.13   0.18   0.40     0.01  -0.12  -0.28
    25   1     0.13   0.02   0.00     0.19  -0.38   0.17     0.06  -0.25   0.13
    26   1     0.13  -0.11   0.06     0.08   0.02  -0.20    -0.02   0.07  -0.12
    27   1    -0.01   0.28  -0.20    -0.05   0.19  -0.32    -0.01  -0.06  -0.04
    28   1    -0.03  -0.01  -0.02     0.01   0.01   0.01     0.04   0.03   0.02
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.01
    31   1    -0.03  -0.03  -0.02     0.01   0.01   0.01     0.00   0.02   0.00
    32   1     0.01   0.00   0.03    -0.00  -0.00  -0.01    -0.01   0.00  -0.03
    33   1     0.01   0.01   0.03    -0.00  -0.00  -0.01    -0.03  -0.03  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --    969.3998               973.7083               978.8127
 Red. masses --      1.5415                 1.5742                 1.4959
 Frc consts  --      0.8535                 0.8794                 0.8444
 IR Inten    --      0.1208                 0.0218                 0.0794
 RamAct Fr= 1--      3.0124                 3.0919                 1.2215
  Dep-P Fr= 1--      0.7492                 0.7485                 0.7456
  Dep-U Fr= 1--      0.8566                 0.8561                 0.8543
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0001
 Beta2  Fr= 1--      0.4301                 0.4412                 0.1739
 AlphaG Fr= 1--      0.0016                -0.0004                 0.0009
 Gamma2 Fr= 1--     -2.0954                -0.1168                 2.0940
 Delta2 Fr= 1--      0.8229                -0.0279                 0.2644
 Raman1 Fr= 1--      12.049                 12.368                  4.886
 ROA1   Fr= 1--    -174.829                -12.107                209.480
 CID1   Fr= 1--     -14.509                 -0.979                 42.872
 Raman2 Fr= 1--       5.161                  5.294                  2.087
 ROA2   Fr= 1--     -56.873                 -2.580                 48.140
 CID2   Fr= 1--     -11.020                 -0.487                 23.066
 Raman3 Fr= 1--      10.322                 10.588                  4.174
 ROA3   Fr= 1--    -174.829                -12.107                209.480
 CID3   Fr= 1--     -16.937                 -1.143                 50.185
 RC180  Fr= 1--       0.713                  0.712                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.09  -0.04    -0.00  -0.01   0.00     0.00  -0.03  -0.01
     2   6    -0.01   0.03   0.01    -0.00   0.01  -0.00    -0.01   0.04   0.02
     3   6     0.02   0.07   0.01    -0.00   0.01   0.00     0.01   0.02  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
     5   6     0.00  -0.08  -0.01     0.01  -0.00   0.00     0.02   0.09   0.04
     6   6     0.01   0.06   0.03     0.00  -0.00   0.01    -0.01  -0.10  -0.04
     7   6    -0.04  -0.08  -0.02    -0.01   0.01  -0.05    -0.02  -0.07  -0.02
     8   6     0.01   0.08   0.03    -0.01   0.04  -0.10     0.01   0.06   0.03
     9   6    -0.00   0.02  -0.06     0.04   0.09   0.08    -0.00   0.03  -0.05
    10   6     0.02   0.00   0.06    -0.03  -0.13   0.03     0.01   0.00   0.05
    11   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.05   0.49   0.16     0.00   0.05   0.03     0.03   0.18   0.06
    16   1    -0.02  -0.37  -0.13    -0.02  -0.03  -0.01    -0.00  -0.13  -0.05
    17   1     0.06   0.38   0.15     0.02   0.01  -0.00    -0.04  -0.53  -0.19
    18   1    -0.04  -0.36  -0.11     0.00  -0.01   0.01     0.08   0.60   0.19
    19   1    -0.07  -0.08  -0.03     0.01  -0.12  -0.02    -0.08  -0.09  -0.03
    20   1    -0.07  -0.09  -0.02    -0.02   0.09   0.06    -0.08  -0.10  -0.03
    21   1     0.02   0.12   0.07    -0.03   0.14  -0.34     0.03   0.14   0.06
    22   1     0.01  -0.04   0.03    -0.07  -0.15  -0.10     0.00  -0.04   0.04
    23   1     0.02  -0.03   0.07    -0.13   0.08   0.55     0.02  -0.03   0.07
    24   1     0.04  -0.09  -0.22    -0.13  -0.11  -0.09     0.03  -0.08  -0.20
    25   1     0.04  -0.24   0.12     0.13   0.11  -0.01     0.06  -0.19   0.09
    26   1    -0.02   0.08  -0.14     0.22  -0.38   0.33    -0.01   0.05  -0.10
    27   1    -0.01  -0.05  -0.05     0.05   0.18  -0.01    -0.01  -0.01  -0.05
    28   1     0.01   0.02   0.01     0.01   0.01   0.00    -0.04  -0.04  -0.02
    29   6    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    30   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.01
    31   1     0.01   0.00   0.00     0.01   0.01   0.01    -0.01  -0.02  -0.00
    32   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.01     0.02   0.00   0.03
    33   1     0.00   0.00  -0.01     0.00  -0.00  -0.01     0.02   0.02   0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.9003              1045.4931              1059.8352
 Red. masses --      1.9434                 2.8868                 1.7510
 Frc consts  --      1.1494                 1.8591                 1.1588
 IR Inten    --     26.4558                18.1609                62.6669
 RamAct Fr= 1--      6.9681                 0.3341                 3.6220
  Dep-P Fr= 1--      0.3656                 0.2424                 0.1937
  Dep-U Fr= 1--      0.5355                 0.3903                 0.3245
 Alpha2 Fr= 1--      0.0581                 0.0040                 0.0500
 Beta2  Fr= 1--      0.6219                 0.0217                 0.1959
 AlphaG Fr= 1--      0.1140                 0.0045                 0.0458
 Gamma2 Fr= 1--      0.0463                -0.0895                -0.2986
 Delta2 Fr= 1--     -0.7748                -0.0838                -0.8465
 Raman1 Fr= 1--      27.873                  1.336                 14.488
 ROA1   Fr= 1--     -20.353                -11.272                -55.754
 CID1   Fr= 1--      -0.730                 -8.434                 -3.848
 Raman2 Fr= 1--       7.462                  0.261                  2.351
 ROA2   Fr= 1--       7.309                 -1.478                 -0.395
 CID2   Fr= 1--       0.979                 -5.667                 -0.168
 Raman3 Fr= 1--      14.925                  0.522                  4.701
 ROA3   Fr= 1--     -20.353                -11.272                -55.754
 CID3   Fr= 1--      -1.364                -21.611                -11.860
 RC180  Fr= 1--       0.071                 -0.219                 -0.351
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.03    -0.06   0.07  -0.19     0.02   0.01  -0.03
     2   6    -0.00   0.00  -0.01     0.03  -0.01  -0.01     0.02  -0.00   0.01
     3   6     0.00   0.02   0.01    -0.01  -0.06   0.18    -0.01  -0.02   0.05
     4   6     0.05  -0.04  -0.03     0.06  -0.00  -0.01    -0.06  -0.01   0.02
     5   6     0.00   0.02   0.04    -0.04   0.06  -0.17    -0.02   0.03  -0.08
     6   6    -0.04  -0.02   0.04    -0.02  -0.07   0.20     0.02  -0.01   0.01
     7   6     0.01  -0.00   0.01    -0.01  -0.00   0.00    -0.01  -0.00   0.00
     8   6     0.00  -0.01   0.01    -0.00   0.01   0.00    -0.01   0.00  -0.01
     9   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.00   0.01
    11   6     0.10   0.14   0.01     0.02  -0.00   0.03    -0.07  -0.00  -0.04
    12   6    -0.07   0.02  -0.06    -0.01  -0.04   0.03     0.01   0.08  -0.07
    13   8     0.02  -0.02  -0.02     0.00   0.01   0.01    -0.00  -0.01  -0.01
    14   8     0.02  -0.04   0.08    -0.00   0.02  -0.05     0.00  -0.04   0.10
    15   1    -0.01   0.04  -0.02     0.18   0.11  -0.36     0.11   0.02  -0.09
    16   1    -0.03  -0.09  -0.03     0.27  -0.13   0.28     0.11  -0.05   0.10
    17   1    -0.03  -0.15  -0.00     0.18   0.06  -0.34     0.10   0.07  -0.16
    18   1    -0.09   0.06   0.05     0.25  -0.11   0.31     0.17  -0.05   0.06
    19   1     0.02   0.03   0.00    -0.04  -0.01  -0.00    -0.04  -0.01  -0.00
    20   1    -0.01  -0.03  -0.01    -0.04  -0.01   0.00     0.02   0.01  -0.00
    21   1     0.01   0.01   0.02    -0.01  -0.02  -0.00    -0.01  -0.03  -0.02
    22   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    23   1     0.01  -0.00  -0.01    -0.00   0.00   0.02    -0.01   0.00   0.02
    24   1     0.00  -0.00  -0.01    -0.00  -0.01  -0.02    -0.01  -0.00   0.00
    25   1    -0.00   0.02  -0.01    -0.00  -0.02   0.01    -0.00  -0.03   0.01
    26   1     0.00  -0.01   0.01    -0.01   0.01  -0.01    -0.01   0.02  -0.02
    27   1     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.03   0.00
    28   1     0.36   0.51   0.19     0.04  -0.12  -0.01    -0.31   0.24  -0.00
    29   6    -0.09  -0.10  -0.02    -0.05   0.04  -0.02     0.11  -0.06   0.03
    30   1     0.02  -0.02  -0.04    -0.00  -0.00   0.09     0.01   0.00  -0.19
    31   1     0.19   0.23   0.13     0.03  -0.12  -0.05    -0.13   0.20   0.07
    32   1    -0.15  -0.06  -0.38    -0.08  -0.19  -0.10     0.19   0.41   0.30
    33   1    -0.09  -0.12  -0.38     0.17   0.10   0.17    -0.37  -0.21  -0.29
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1087.9393              1107.8531              1110.1956
 Red. masses --      1.9619                 1.9696                 1.4937
 Frc consts  --      1.3682                 1.4242                 1.0847
 IR Inten    --      2.1936                 4.3877                 1.0484
 RamAct Fr= 1--      4.4353                 4.3014                 4.0864
  Dep-P Fr= 1--      0.6280                 0.1838                 0.1714
  Dep-U Fr= 1--      0.7715                 0.3106                 0.2927
 Alpha2 Fr= 1--      0.0098                 0.0610                 0.0598
 Beta2  Fr= 1--      0.5703                 0.2226                 0.1993
 AlphaG Fr= 1--     -0.0437                -0.0759                 0.0002
 Gamma2 Fr= 1--      0.8023                -2.0083                 0.1679
 Delta2 Fr= 1--      1.0779                -0.0672                 0.1877
 Raman1 Fr= 1--      17.741                 17.206                 16.346
 ROA1   Fr= 1--     111.509               -194.951                 22.120
 CID1   Fr= 1--       6.285                -11.331                  1.353
 Raman2 Fr= 1--       6.844                  2.672                  2.392
 ROA2   Fr= 1--      10.631                -47.662                  2.527
 CID2   Fr= 1--       1.553                -17.839                  1.056
 Raman3 Fr= 1--      13.687                  5.344                  4.784
 ROA3   Fr= 1--     111.509               -194.951                 22.120
 CID3   Fr= 1--       8.147                -36.484                  4.624
 RC180  Fr= 1--       0.543                 -0.379                 -0.415
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.05    -0.01  -0.01   0.03    -0.01   0.02  -0.00
     2   6     0.01  -0.02   0.07     0.01   0.02  -0.02    -0.07  -0.04  -0.01
     3   6     0.03   0.02  -0.05    -0.02   0.01  -0.00     0.02   0.01  -0.02
     4   6     0.02  -0.05   0.04    -0.01  -0.03   0.00     0.00  -0.01   0.00
     5   6    -0.03   0.02  -0.02     0.01   0.01  -0.01     0.03  -0.01   0.01
     6   6     0.02   0.01  -0.06     0.02  -0.01   0.01     0.00   0.01   0.02
     7   6     0.01  -0.01   0.04    -0.00   0.01  -0.06    -0.02   0.04   0.00
     8   6    -0.01   0.04  -0.12    -0.02  -0.04   0.11     0.14   0.02   0.01
     9   6    -0.03  -0.02   0.06     0.04   0.03  -0.05    -0.06  -0.03  -0.01
    10   6     0.04  -0.02   0.05    -0.03   0.02  -0.04    -0.08  -0.03  -0.02
    11   6     0.05   0.07   0.13     0.04   0.08   0.17    -0.01   0.01   0.03
    12   6    -0.03  -0.01  -0.01    -0.02  -0.01  -0.01    -0.00   0.00  -0.01
    13   8     0.01  -0.01  -0.01     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
    15   1    -0.18  -0.01   0.04    -0.09  -0.00   0.10     0.02  -0.04  -0.05
    16   1     0.18  -0.06  -0.01    -0.10  -0.02  -0.05     0.05  -0.01  -0.02
    17   1    -0.21  -0.05   0.08     0.06  -0.01  -0.06     0.06  -0.00  -0.01
    18   1     0.12   0.01  -0.01     0.08  -0.02   0.04     0.08  -0.08   0.03
    19   1    -0.42  -0.08  -0.03     0.41   0.04   0.02    -0.16  -0.10   0.01
    20   1     0.42   0.12  -0.05    -0.31  -0.03   0.08    -0.27  -0.10  -0.01
    21   1    -0.02   0.06  -0.17    -0.03  -0.16   0.14     0.26   0.48   0.17
    22   1     0.01   0.10   0.12    -0.02  -0.12  -0.16     0.04   0.14   0.22
    23   1     0.01   0.01  -0.12    -0.04   0.02   0.17     0.13  -0.09  -0.29
    24   1     0.03   0.09   0.17    -0.06  -0.09  -0.15     0.15   0.06   0.01
    25   1    -0.00  -0.17   0.08    -0.02   0.13  -0.06     0.15   0.11  -0.02
    26   1    -0.03   0.07  -0.09    -0.00  -0.01   0.05     0.19  -0.26   0.17
    27   1     0.00  -0.16   0.04    -0.01   0.09  -0.01     0.01   0.29  -0.10
    28   1    -0.13   0.07   0.09    -0.15   0.05   0.12    -0.06   0.01   0.02
    29   6    -0.00  -0.02  -0.10     0.02  -0.02  -0.13     0.01  -0.00  -0.02
    30   1     0.00  -0.01   0.07     0.00  -0.02   0.12    -0.00  -0.00   0.00
    31   1    -0.24  -0.21  -0.21    -0.33  -0.24  -0.26    -0.06  -0.03  -0.04
    32   1     0.04   0.00   0.15     0.09   0.06   0.26     0.02   0.02   0.06
    33   1    -0.08  -0.03   0.08    -0.16  -0.06   0.10    -0.03  -0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1151.4873              1187.0860              1203.3838
 Red. masses --      1.4078                 2.0614                 2.0079
 Frc consts  --      1.0998                 1.7115                 1.7132
 IR Inten    --      0.3798               139.2710                 2.0065
 RamAct Fr= 1--      2.0581                 5.7153                 6.5047
  Dep-P Fr= 1--      0.2095                 0.2072                 0.3190
  Dep-U Fr= 1--      0.3465                 0.3433                 0.4836
 Alpha2 Fr= 1--      0.0272                 0.0761                 0.0630
 Beta2  Fr= 1--      0.1188                 0.3270                 0.5243
 AlphaG Fr= 1--     -0.0113                -0.0687                 0.0230
 Gamma2 Fr= 1--     -1.7415                 0.6110                 0.4104
 Delta2 Fr= 1--     -0.7043                 0.4472                -0.3883
 Raman1 Fr= 1--       8.232                 22.861                 26.019
 ROA1   Fr= 1--    -189.719                 72.968                 26.968
 CID1   Fr= 1--     -23.046                  3.192                  1.036
 Raman2 Fr= 1--       1.426                  3.924                  6.292
 ROA2   Fr= 1--     -36.161                 11.086                 12.955
 CID2   Fr= 1--     -25.358                  2.825                  2.059
 Raman3 Fr= 1--       2.852                  7.847                 12.584
 ROA3   Fr= 1--    -189.719                 72.968                 26.968
 CID3   Fr= 1--     -66.519                  9.298                  2.143
 RC180  Fr= 1--      -0.307                 -0.313                 -0.033
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.01   0.01     0.01  -0.01   0.02    -0.02  -0.00  -0.01
     2   6     0.00   0.01  -0.02     0.02  -0.01  -0.01    -0.07   0.03   0.01
     3   6    -0.07   0.00   0.03     0.01  -0.01   0.02     0.02   0.00  -0.02
     4   6    -0.03   0.00  -0.03    -0.09  -0.01  -0.01     0.02  -0.00  -0.00
     5   6     0.07  -0.01   0.01    -0.04   0.01   0.00     0.03  -0.01   0.01
     6   6    -0.06   0.00   0.02     0.04   0.01  -0.03    -0.02  -0.01   0.01
     7   6    -0.00  -0.01   0.04    -0.01   0.01   0.00    -0.01  -0.07  -0.02
     8   6     0.00   0.02  -0.05     0.01  -0.00  -0.00    -0.09   0.18   0.07
     9   6    -0.02  -0.01   0.02    -0.01   0.00   0.00     0.07  -0.10  -0.01
    10   6     0.02  -0.00   0.02    -0.01   0.00   0.00     0.07  -0.08  -0.07
    11   6     0.01   0.03   0.05    -0.03   0.12  -0.07    -0.02   0.01  -0.00
    12   6     0.00  -0.02   0.01     0.04  -0.10   0.10     0.01  -0.01   0.01
    13   8     0.00   0.00   0.01    -0.01   0.04   0.05    -0.00   0.00   0.01
    14   8    -0.00   0.00  -0.03     0.00  -0.00  -0.14     0.00  -0.00  -0.01
    15   1     0.45   0.03  -0.24    -0.04  -0.02   0.06     0.05   0.03  -0.05
    16   1    -0.41   0.06  -0.10     0.25  -0.09   0.12     0.03   0.00  -0.02
    17   1     0.40   0.03  -0.22    -0.07  -0.03   0.00     0.05  -0.00  -0.00
    18   1    -0.43   0.08  -0.13     0.12  -0.02   0.00     0.05  -0.00   0.05
    19   1    -0.13   0.04   0.00    -0.03  -0.01   0.00     0.08   0.03  -0.02
    20   1     0.10  -0.03  -0.05    -0.03  -0.01  -0.00     0.08   0.01   0.02
    21   1    -0.00   0.04  -0.09     0.01  -0.01  -0.00    -0.04   0.35   0.12
    22   1     0.01   0.04   0.06     0.00   0.00   0.03     0.02   0.08  -0.39
    23   1     0.01  -0.01  -0.05     0.01  -0.01  -0.00    -0.14   0.11  -0.20
    24   1     0.02   0.03   0.05     0.01  -0.00  -0.01    -0.10   0.11   0.33
    25   1    -0.00  -0.06   0.03     0.01  -0.01   0.01    -0.16   0.28  -0.16
    26   1    -0.01   0.02  -0.02     0.01  -0.01  -0.01    -0.09  -0.05   0.25
    27   1     0.00  -0.05   0.01    -0.00   0.02  -0.02     0.10  -0.18   0.35
    28   1     0.03   0.00   0.04     0.19   0.13  -0.02    -0.05   0.02  -0.01
    29   6     0.01  -0.01  -0.04     0.03  -0.07   0.01     0.01  -0.01   0.00
    30   1     0.00  -0.02   0.13     0.02  -0.11   0.75     0.00  -0.01   0.08
    31   1    -0.09  -0.04  -0.06    -0.01   0.19   0.09    -0.01   0.02   0.01
    32   1     0.04   0.04   0.09     0.05   0.22   0.02     0.01   0.03   0.01
    33   1    -0.06  -0.03   0.01    -0.14  -0.12  -0.19    -0.03  -0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1214.7137              1223.2043              1237.4072
 Red. masses --      1.3546                 1.9418                 2.4938
 Frc consts  --      1.1776                 1.7118                 2.2498
 IR Inten    --      4.8896                 8.7669                 3.8402
 RamAct Fr= 1--     37.5313                27.4745                29.5355
  Dep-P Fr= 1--      0.0955                 0.2134                 0.1674
  Dep-U Fr= 1--      0.1743                 0.3517                 0.2868
 Alpha2 Fr= 1--      0.6644                 0.3600                 0.4367
 Beta2  Fr= 1--      1.0902                 1.6106                 1.4119
 AlphaG Fr= 1--      0.1053                 0.0755                -0.1012
 Gamma2 Fr= 1--     -4.9484                -0.6269                 0.0767
 Delta2 Fr= 1--     -0.3531                 0.4088                 0.1487
 Raman1 Fr= 1--     150.125                109.898                118.142
 ROA1   Fr= 1--    -486.346                -47.099                 12.121
 CID1   Fr= 1--      -3.240                 -0.429                  0.103
 Raman2 Fr= 1--      13.083                 19.327                 16.943
 ROA2   Fr= 1--    -115.937                -18.316                  0.651
 CID2   Fr= 1--      -8.862                 -0.948                  0.038
 Raman3 Fr= 1--      26.165                 38.655                 33.885
 ROA3   Fr= 1--    -486.346                -47.099                 12.121
 CID3   Fr= 1--     -18.588                 -1.218                  0.358
 RC180  Fr= 1--      -0.651                 -0.297                 -0.426
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.05    -0.08   0.02  -0.02     0.05   0.00  -0.03
     2   6     0.04  -0.00  -0.01    -0.03  -0.00   0.01     0.29  -0.04  -0.02
     3   6     0.02  -0.02   0.04     0.06  -0.00  -0.02    -0.07  -0.01   0.05
     4   6    -0.12   0.01   0.00     0.20  -0.03  -0.00     0.06  -0.01   0.02
     5   6     0.01   0.01  -0.03     0.08   0.00  -0.03    -0.07   0.03  -0.06
     6   6    -0.01   0.02  -0.04    -0.10   0.00   0.03     0.03  -0.00  -0.01
     7   6    -0.02  -0.00   0.00     0.02   0.01  -0.00    -0.12   0.01   0.00
     8   6     0.00   0.03   0.01     0.00  -0.03  -0.00     0.02   0.08   0.05
     9   6     0.00  -0.01  -0.00    -0.00   0.01   0.00     0.01  -0.03  -0.01
    10   6     0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.01  -0.03  -0.02
    11   6     0.06  -0.02   0.01    -0.10   0.01  -0.01     0.00  -0.00  -0.01
    12   6    -0.01   0.02  -0.01     0.01  -0.01   0.01    -0.00  -0.01   0.00
    13   8     0.00  -0.01  -0.01    -0.01   0.01   0.02    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.02     0.00  -0.01  -0.03     0.00   0.00  -0.00
    15   1    -0.28  -0.05   0.25    -0.44  -0.03   0.23    -0.22  -0.03   0.18
    16   1     0.50  -0.13   0.24     0.09  -0.01  -0.02    -0.40   0.07  -0.07
    17   1     0.38   0.07  -0.30     0.25   0.02  -0.14    -0.33  -0.01   0.12
    18   1    -0.33   0.10  -0.18    -0.53   0.10  -0.13    -0.28   0.08  -0.14
    19   1    -0.04   0.00  -0.00     0.02   0.00  -0.00    -0.43  -0.16  -0.02
    20   1    -0.05  -0.01   0.01     0.05   0.03   0.01    -0.27  -0.03   0.04
    21   1     0.00   0.04   0.00     0.00  -0.04   0.01    -0.00  -0.03   0.10
    22   1     0.00   0.02  -0.02    -0.00  -0.02   0.03     0.01   0.04  -0.09
    23   1    -0.00   0.01  -0.04     0.01  -0.01   0.04    -0.01   0.01  -0.10
    24   1     0.00   0.02   0.03    -0.00  -0.02  -0.04     0.01   0.02   0.05
    25   1    -0.00   0.03  -0.01     0.01  -0.03   0.01     0.01   0.09  -0.04
    26   1     0.00  -0.02   0.04     0.01   0.01  -0.02     0.02  -0.09   0.11
    27   1     0.01  -0.00   0.03    -0.01   0.02  -0.04     0.02   0.06   0.06
    28   1     0.23  -0.07   0.02    -0.42   0.12  -0.04    -0.15   0.05  -0.02
    29   6    -0.02   0.01  -0.02     0.02  -0.01   0.03    -0.00  -0.00   0.01
    30   1     0.00   0.02  -0.14     0.00  -0.03   0.19    -0.00  -0.00  -0.00
    31   1     0.02  -0.05  -0.03    -0.02   0.08   0.05     0.01   0.01   0.02
    32   1    -0.01  -0.05   0.01     0.02   0.06   0.01    -0.01  -0.01  -0.04
    33   1     0.05   0.03   0.05    -0.07  -0.04  -0.06     0.00  -0.00  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1245.0210              1298.0220              1309.7962
 Red. masses --      1.3681                 1.9833                 1.5293
 Frc consts  --      1.2495                 1.9688                 1.5458
 IR Inten    --      1.1714                 0.7916                 8.6218
 RamAct Fr= 1--      6.9941                 4.3992                24.4613
  Dep-P Fr= 1--      0.7430                 0.2346                 0.2822
  Dep-U Fr= 1--      0.8525                 0.3801                 0.4402
 Alpha2 Fr= 1--      0.0008                 0.0544                 0.2644
 Beta2  Fr= 1--      0.9938                 0.2787                 1.7945
 AlphaG Fr= 1--      0.0126                 0.0255                -0.0862
 Gamma2 Fr= 1--      0.6665                 1.3146                -0.2239
 Delta2 Fr= 1--     -0.0643                -0.4166                 0.0335
 Raman1 Fr= 1--      27.976                 17.597                 97.845
 ROA1   Fr= 1--      61.926                112.866                -20.418
 CID1   Fr= 1--       2.214                  6.414                 -0.209
 Raman2 Fr= 1--      11.925                  3.344                 21.534
 ROA2   Fr= 1--      16.510                 34.882                 -5.641
 CID2   Fr= 1--       1.384                 10.430                 -0.262
 Raman3 Fr= 1--      23.851                  6.689                 43.068
 ROA3   Fr= 1--      61.926                112.866                -20.418
 CID3   Fr= 1--       2.596                 16.874                 -0.474
 RC180  Fr= 1--       0.705                 -0.240                 -0.120
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03     0.06   0.00  -0.03     0.01   0.00   0.00
     2   6    -0.02  -0.02   0.08    -0.01  -0.01   0.04    -0.01  -0.03  -0.01
     3   6    -0.02   0.01  -0.02    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     4   6    -0.02  -0.01   0.03    -0.06  -0.03   0.17    -0.01  -0.00   0.01
     5   6     0.02   0.00  -0.01     0.02   0.01  -0.04     0.00   0.00  -0.00
     6   6    -0.02   0.02  -0.03    -0.04   0.02  -0.05     0.00   0.01  -0.00
     7   6     0.01   0.01  -0.04    -0.00  -0.00  -0.01     0.10   0.09   0.02
     8   6     0.01  -0.04   0.09     0.01   0.00  -0.00    -0.10  -0.10  -0.02
     9   6     0.05   0.02  -0.03    -0.01  -0.00   0.00     0.06   0.03   0.00
    10   6    -0.05   0.00  -0.02     0.01  -0.00   0.00     0.06   0.03   0.00
    11   6     0.02  -0.00  -0.01     0.15  -0.05  -0.05     0.01  -0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00  -0.00
    13   8     0.00   0.00   0.00     0.00   0.02   0.04     0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00     0.01  -0.02  -0.02     0.00  -0.00  -0.00
    15   1     0.16   0.03  -0.13    -0.11  -0.02   0.09    -0.02  -0.03   0.01
    16   1     0.08  -0.01   0.01    -0.17   0.07  -0.10    -0.00  -0.00  -0.00
    17   1     0.03   0.00  -0.02     0.27   0.05  -0.22     0.02  -0.00  -0.01
    18   1    -0.07   0.02  -0.06     0.28  -0.06   0.08     0.00  -0.02  -0.01
    19   1    -0.37  -0.31  -0.05     0.18   0.08   0.01    -0.41  -0.27  -0.01
    20   1     0.46   0.32   0.08    -0.09  -0.04   0.00    -0.43  -0.25  -0.09
    21   1     0.05  -0.15   0.45    -0.01   0.02  -0.12     0.06   0.51   0.17
    22   1    -0.01  -0.11  -0.16     0.00   0.02   0.04    -0.02  -0.13  -0.13
    23   1    -0.02   0.02   0.11     0.01  -0.01  -0.02    -0.05   0.06   0.12
    24   1    -0.05  -0.06  -0.07     0.02   0.01  -0.00    -0.14  -0.07  -0.03
    25   1     0.04   0.08  -0.03    -0.00   0.00  -0.00    -0.14  -0.08   0.00
    26   1     0.03  -0.07   0.05    -0.01   0.01  -0.01    -0.07   0.12  -0.05
    27   1    -0.01   0.18  -0.07     0.00  -0.01   0.01    -0.00  -0.18   0.02
    28   1     0.02   0.01  -0.01    -0.57   0.31  -0.07    -0.02   0.01  -0.00
    29   6    -0.01   0.00   0.00    -0.06   0.01   0.03    -0.00   0.00   0.00
    30   1     0.00  -0.00   0.01     0.02  -0.04   0.22     0.00  -0.00   0.02
    31   1     0.02   0.01   0.01     0.18  -0.01   0.06     0.01  -0.00   0.00
    32   1    -0.01  -0.01  -0.02    -0.08  -0.09  -0.11    -0.00  -0.01  -0.00
    33   1     0.02   0.01  -0.00     0.15   0.06  -0.05     0.01   0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1341.0183              1346.2913              1353.3582
 Red. masses --      1.8195                 1.6865                 1.8595
 Frc consts  --      1.9278                 1.8010                 2.0067
 IR Inten    --      4.3376                18.1381                11.3203
 RamAct Fr= 1--      7.5530                 2.5013                 1.3619
  Dep-P Fr= 1--      0.6430                 0.7119                 0.6957
  Dep-U Fr= 1--      0.7827                 0.8317                 0.8205
 Alpha2 Fr= 1--      0.0146                 0.0017                 0.0013
 Beta2  Fr= 1--      0.9853                 0.3467                 0.1863
 AlphaG Fr= 1--      0.0739                 0.0088                -0.0023
 Gamma2 Fr= 1--     -0.7445                 3.9254                -0.4621
 Delta2 Fr= 1--     -0.1663                 2.6680                -0.2961
 Raman1 Fr= 1--      30.212                 10.005                  5.448
 ROA1   Fr= 1--     -76.791                462.213                -53.842
 CID1   Fr= 1--      -2.542                 46.198                 -9.883
 Raman2 Fr= 1--      11.824                  4.161                  2.235
 ROA2   Fr= 1--     -16.537                 72.866                 -8.722
 CID2   Fr= 1--      -1.399                 17.514                 -3.903
 Raman3 Fr= 1--      23.647                  8.321                  4.470
 ROA3   Fr= 1--     -76.791                462.213                -53.842
 CID3   Fr= 1--      -3.247                 55.547                -12.045
 RC180  Fr= 1--       0.565                  0.663                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01   0.03     0.03   0.00  -0.02     0.03   0.01  -0.03
     2   6    -0.00   0.02  -0.05     0.00  -0.03   0.07     0.02  -0.05   0.13
     3   6     0.04  -0.02   0.02    -0.05   0.01  -0.02    -0.08   0.02  -0.03
     4   6    -0.00   0.04  -0.06     0.01  -0.01   0.02     0.01  -0.01   0.02
     5   6    -0.04  -0.01   0.03     0.05   0.01  -0.03     0.07   0.01  -0.05
     6   6     0.05  -0.01   0.02    -0.04   0.01  -0.01    -0.05   0.01  -0.02
     7   6     0.00  -0.00   0.01     0.00   0.01  -0.02    -0.01   0.01  -0.03
     8   6    -0.00   0.01  -0.01     0.00  -0.01   0.02     0.01  -0.02   0.06
     9   6     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.03   0.01  -0.00
    10   6    -0.01   0.00   0.00     0.01  -0.00  -0.01     0.03  -0.00  -0.02
    11   6    -0.01  -0.16  -0.02    -0.04  -0.04  -0.04    -0.02  -0.03   0.01
    12   6    -0.02   0.08  -0.08     0.03  -0.14   0.11    -0.02   0.11  -0.09
    13   8    -0.01   0.02   0.06    -0.00   0.02  -0.02    -0.00  -0.01   0.03
    14   8     0.01  -0.04  -0.01    -0.01   0.05  -0.00     0.01  -0.04   0.00
    15   1     0.05   0.00  -0.03     0.07   0.01  -0.05     0.18   0.03  -0.13
    16   1    -0.02   0.03   0.01     0.16  -0.03   0.07     0.30  -0.08   0.12
    17   1    -0.01   0.01   0.01    -0.14  -0.03   0.10    -0.30  -0.03   0.22
    18   1    -0.06   0.01  -0.02    -0.08   0.02  -0.03    -0.21   0.05  -0.08
    19   1    -0.09  -0.02  -0.01     0.11   0.02   0.01     0.17   0.00   0.01
    20   1     0.08   0.02  -0.01    -0.11  -0.03   0.02    -0.17  -0.02   0.04
    21   1     0.01  -0.05   0.12    -0.02   0.07  -0.19    -0.05   0.15  -0.42
    22   1     0.00   0.00  -0.02    -0.01  -0.00   0.02    -0.02  -0.01   0.05
    23   1    -0.01   0.01   0.01     0.02  -0.02  -0.02     0.06  -0.04  -0.04
    24   1    -0.01   0.00   0.02     0.02  -0.01  -0.03     0.04  -0.02  -0.07
    25   1     0.01  -0.01   0.01    -0.02   0.02  -0.01    -0.05   0.05  -0.04
    26   1     0.02  -0.02   0.00    -0.02   0.02   0.00    -0.06   0.05   0.01
    27   1    -0.01   0.01  -0.01     0.01  -0.02   0.02     0.03  -0.02   0.04
    28   1     0.09   0.70   0.32     0.17   0.65   0.27     0.22  -0.21  -0.01
    29   6     0.01   0.07  -0.03     0.01   0.02  -0.04     0.01   0.02   0.02
    30   1     0.02  -0.08   0.41    -0.02   0.09  -0.45     0.02  -0.08   0.39
    31   1    -0.02  -0.19  -0.13    -0.04   0.01  -0.05    -0.05  -0.10  -0.04
    32   1     0.03  -0.14   0.13     0.05   0.03   0.13    -0.01  -0.07  -0.06
    33   1     0.01   0.07   0.11     0.03   0.03   0.16    -0.06  -0.01  -0.07
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1373.0692              1376.3822              1388.2120
 Red. masses --      1.6401                 1.3097                 1.3529
 Frc consts  --      1.8219                 1.4618                 1.5361
 IR Inten    --      2.0774                 0.1282                 8.3501
 RamAct Fr= 1--      0.9760                 1.8862                10.8275
  Dep-P Fr= 1--      0.5077                 0.5448                 0.4227
  Dep-U Fr= 1--      0.6735                 0.7053                 0.5942
 Alpha2 Fr= 1--      0.0046                 0.0074                 0.0738
 Beta2  Fr= 1--      0.1096                 0.2217                 1.0723
 AlphaG Fr= 1--      0.0230                -0.0194                -0.0127
 Gamma2 Fr= 1--     -0.2696                 1.4241                 0.1246
 Delta2 Fr= 1--     -0.1641                 0.8745                 0.1441
 Raman1 Fr= 1--       3.904                  7.545                 43.310
 ROA1   Fr= 1--     -31.135                164.692                 16.576
 CID1   Fr= 1--      -7.975                 21.829                  0.383
 Raman2 Fr= 1--       1.315                  2.661                 12.867
 ROA2   Fr= 1--      -5.158                 27.182                  1.838
 CID2   Fr= 1--      -3.924                 10.216                  0.143
 Raman3 Fr= 1--       2.629                  5.321                 25.734
 ROA3   Fr= 1--     -31.135                164.692                 16.576
 CID3   Fr= 1--     -11.842                 30.949                  0.644
 RC180  Fr= 1--       0.347                  0.411                  0.188
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.01  -0.05    -0.03  -0.00   0.02     0.01   0.00  -0.01
     2   6     0.00  -0.01   0.02     0.00  -0.02   0.05     0.04   0.01  -0.00
     3   6    -0.05   0.01  -0.00    -0.03   0.01  -0.02    -0.01  -0.00   0.01
     4   6     0.03  -0.03   0.08    -0.02   0.02  -0.04    -0.00   0.00   0.00
     5   6     0.05   0.00  -0.02     0.02   0.00  -0.02    -0.01   0.00  -0.01
     6   6    -0.09   0.02  -0.02     0.04  -0.01   0.01     0.01  -0.00   0.01
     7   6     0.00  -0.01   0.02    -0.00  -0.00   0.00    -0.12  -0.03   0.00
     8   6    -0.01   0.04  -0.11    -0.01   0.03  -0.10    -0.00  -0.10  -0.03
     9   6     0.03  -0.02   0.01     0.03  -0.02  -0.00     0.02   0.01  -0.02
    10   6    -0.03   0.01   0.02    -0.03   0.02   0.02     0.03  -0.01   0.02
    11   6    -0.08  -0.01  -0.01     0.05   0.00   0.01    -0.00  -0.00  -0.00
    12   6     0.00   0.03  -0.03    -0.00  -0.01   0.01     0.00  -0.00   0.00
    13   8    -0.00  -0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.24  -0.04   0.18     0.26   0.03  -0.18    -0.06  -0.00   0.04
    16   1    -0.11   0.02  -0.02     0.28  -0.07   0.10    -0.05   0.01  -0.00
    17   1     0.06   0.01  -0.02    -0.23  -0.03   0.15    -0.04  -0.00   0.01
    18   1     0.25  -0.06   0.11    -0.27   0.07  -0.11    -0.05   0.02  -0.02
    19   1     0.12   0.11   0.01     0.22   0.13   0.02     0.27   0.31   0.01
    20   1    -0.13  -0.10  -0.03    -0.20  -0.11  -0.02     0.29   0.28   0.13
    21   1     0.05  -0.18   0.50     0.05  -0.14   0.45     0.20   0.64   0.20
    22   1     0.04   0.05  -0.01     0.05   0.06   0.02     0.02  -0.07   0.09
    23   1    -0.10   0.06   0.06    -0.10   0.05   0.10    -0.02  -0.01   0.16
    24   1    -0.06   0.04   0.12    -0.05   0.06   0.14    -0.08   0.05   0.09
    25   1     0.08  -0.11   0.06     0.07  -0.13   0.06    -0.09   0.10  -0.03
    26   1     0.10  -0.08  -0.00     0.12  -0.09   0.02    -0.06   0.09  -0.13
    27   1    -0.04  -0.03  -0.03    -0.05  -0.07  -0.01     0.00   0.01  -0.12
    28   1     0.54  -0.06   0.10    -0.38   0.02  -0.07     0.01   0.00   0.00
    29   6     0.02   0.01  -0.01    -0.01  -0.01   0.02     0.00   0.00   0.00
    30   1     0.00  -0.02   0.08    -0.00   0.00  -0.02    -0.00  -0.00   0.00
    31   1    -0.07  -0.03  -0.04     0.03  -0.01   0.02    -0.01  -0.01  -0.00
    32   1     0.03  -0.02   0.03    -0.02  -0.01  -0.06    -0.00  -0.00  -0.01
    33   1    -0.06  -0.00   0.04     0.03  -0.00  -0.06    -0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.5889              1417.9679              1425.2925
 Red. masses --      1.2774                 1.2304                 1.2480
 Frc consts  --      1.4870                 1.4576                 1.4937
 IR Inten    --      8.3453                 3.4588                 7.7220
 RamAct Fr= 1--      0.0192                 1.0554                 3.1024
  Dep-P Fr= 1--      0.7478                 0.6491                 0.5960
  Dep-U Fr= 1--      0.8557                 0.7872                 0.7469
 Alpha2 Fr= 1--      0.0000                 0.0019                 0.0089
 Beta2  Fr= 1--      0.0027                 0.1385                 0.3862
 AlphaG Fr= 1--     -0.0000                -0.0051                -0.0009
 Gamma2 Fr= 1--      0.0254                 0.0383                 0.0960
 Delta2 Fr= 1--      0.0131                 0.0714                 0.0568
 Raman1 Fr= 1--       0.077                  4.222                 12.410
 ROA1   Fr= 1--       2.855                  5.962                 11.035
 CID1   Fr= 1--      37.206                  1.412                  0.889
 Raman2 Fr= 1--       0.033                  1.662                  4.634
 ROA2   Fr= 1--       0.504                  0.348                  1.850
 CID2   Fr= 1--      15.361                  0.209                  0.399
 Raman3 Fr= 1--       0.066                  3.323                  9.268
 ROA3   Fr= 1--       2.855                  5.962                 11.035
 CID3   Fr= 1--      43.479                  1.794                  1.191
 RC180  Fr= 1--       0.711                  0.574                  0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00  -0.01   0.02    -0.01  -0.00  -0.00
     3   6     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.01     0.01  -0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.01   0.00   0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.04   0.01  -0.00
     8   6     0.01  -0.02   0.05    -0.00   0.00  -0.00    -0.00   0.03   0.01
     9   6    -0.00  -0.01  -0.10     0.00  -0.00   0.00     0.01  -0.03  -0.09
    10   6    -0.02   0.08  -0.07     0.00  -0.00   0.00     0.02  -0.08   0.05
    11   6    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00   0.00   0.00
    12   6     0.00   0.00  -0.00    -0.01   0.03  -0.03    -0.00   0.00  -0.00
    13   8    -0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    15   1    -0.02   0.00   0.01     0.02   0.01  -0.02     0.01  -0.00  -0.01
    16   1    -0.04   0.01  -0.02    -0.01   0.00  -0.01     0.01  -0.00   0.00
    17   1     0.03   0.00  -0.03    -0.05  -0.01   0.02     0.01   0.00  -0.00
    18   1     0.02  -0.00   0.00    -0.04   0.01  -0.01     0.01  -0.01   0.00
    19   1    -0.05  -0.05  -0.01     0.03   0.01   0.00    -0.12  -0.05  -0.02
    20   1     0.06   0.05   0.02    -0.03  -0.01   0.00    -0.12  -0.06   0.00
    21   1    -0.01   0.06  -0.15     0.00  -0.00   0.01    -0.05  -0.14  -0.04
    22   1     0.12   0.03   0.39    -0.00   0.00  -0.01     0.14   0.11   0.37
    23   1    -0.09  -0.07   0.37    -0.00   0.00  -0.01    -0.16  -0.02   0.36
    24   1    -0.06   0.24   0.28     0.00  -0.01  -0.00    -0.07   0.23   0.29
    25   1     0.10  -0.36   0.06    -0.00   0.01  -0.00    -0.10   0.35  -0.07
    26   1     0.17  -0.17   0.31    -0.00   0.00  -0.01    -0.22   0.19  -0.25
    27   1    -0.04  -0.28   0.31    -0.00   0.01  -0.01     0.07   0.32  -0.24
    28   1     0.04  -0.00   0.00     0.03  -0.06  -0.01     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.07  -0.07  -0.09     0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.02   0.08     0.00  -0.00  -0.00
    31   1     0.01   0.02   0.00     0.34   0.42   0.17    -0.00  -0.00  -0.00
    32   1     0.00   0.01   0.02     0.07   0.35   0.42     0.00  -0.00   0.00
    33   1     0.01   0.00   0.02     0.38   0.10   0.43    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1461.0844              1489.2662              1489.8677
 Red. masses --      2.4416                 1.0407                 1.0978
 Frc consts  --      3.0709                 1.3600                 1.4357
 IR Inten    --      6.3943                 2.6121                 3.3894
 RamAct Fr= 1--      0.3222                11.1459                15.3899
  Dep-P Fr= 1--      0.1845                 0.7500                 0.7341
  Dep-U Fr= 1--      0.3115                 0.8571                 0.8466
 Alpha2 Fr= 1--      0.0046                 0.0000                 0.0042
 Beta2  Fr= 1--      0.0167                 1.5923                 2.1716
 AlphaG Fr= 1--      0.0356                -0.0004                -0.0022
 Gamma2 Fr= 1--     -0.2722                 0.1508                -0.3374
 Delta2 Fr= 1--     -0.3306                -0.1592                 0.1842
 Raman1 Fr= 1--       1.289                 44.584                 61.560
 ROA1   Fr= 1--     -36.707                  9.384                -26.498
 CID1   Fr= 1--     -28.486                  0.210                 -0.430
 Raman2 Fr= 1--       0.201                 19.107                 26.060
 ROA2   Fr= 1--      -3.887                  4.893                 -9.572
 CID2   Fr= 1--     -19.370                  0.256                 -0.367
 Raman3 Fr= 1--       0.401                 38.214                 52.119
 ROA3   Fr= 1--     -36.707                  9.384                -26.498
 CID3   Fr= 1--     -91.451                  0.246                 -0.508
 RC180  Fr= 1--      -0.377                  0.714                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14   0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.01  -0.01  -0.00
     3   6     0.13  -0.00  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.14   0.02  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.13   0.00  -0.05     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.01  -0.04     0.00  -0.00  -0.00     0.06  -0.05  -0.02
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.01    -0.01   0.00   0.00
     9   6     0.00  -0.01   0.01     0.04   0.01  -0.00    -0.01   0.01   0.00
    10   6     0.00   0.00   0.01    -0.04  -0.01   0.00    -0.01   0.01   0.01
    11   6    -0.04   0.02  -0.04     0.00   0.00  -0.00     0.00   0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.22   0.07  -0.29     0.01   0.01  -0.01     0.02   0.00  -0.01
    16   1    -0.31   0.12  -0.23    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.25   0.07  -0.30     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.28   0.10  -0.22    -0.01  -0.00  -0.01     0.02  -0.00   0.01
    19   1     0.21   0.05   0.01    -0.01   0.01  -0.00    -0.34   0.49  -0.22
    20   1    -0.21  -0.05   0.03    -0.00   0.00   0.01    -0.26   0.23   0.53
    21   1     0.00  -0.01   0.03    -0.01   0.02  -0.07    -0.02  -0.04  -0.01
    22   1     0.01   0.07  -0.02     0.05  -0.13   0.28    -0.06  -0.11  -0.10
    23   1    -0.04   0.03   0.00    -0.17   0.21  -0.26     0.16  -0.13   0.04
    24   1     0.03  -0.02  -0.03    -0.45  -0.19  -0.04     0.10   0.09   0.06
    25   1    -0.04   0.03  -0.00     0.46   0.21   0.01     0.07   0.11  -0.01
    26   1     0.04  -0.02  -0.03     0.11  -0.00  -0.37     0.14  -0.07  -0.13
    27   1    -0.02  -0.04  -0.06     0.01  -0.08   0.31    -0.05  -0.15   0.00
    28   1     0.38  -0.05   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.01   0.01   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.06  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1    -0.00  -0.04  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1    -0.06  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1495.7117              1497.9054              1501.8923
 Red. masses --      1.0455                 1.0569                 1.0534
 Frc consts  --      1.3781                 1.3972                 1.4000
 IR Inten    --      5.7626                 0.0082                11.5294
 RamAct Fr= 1--      7.5619                 0.4839                 6.2006
  Dep-P Fr= 1--      0.6524                 0.7464                 0.6740
  Dep-U Fr= 1--      0.7896                 0.8548                 0.8053
 Alpha2 Fr= 1--      0.0132                 0.0000                 0.0083
 Beta2  Fr= 1--      0.9952                 0.0689                 0.8322
 AlphaG Fr= 1--      0.0380                 0.0016                 0.0748
 Gamma2 Fr= 1--     -0.6561                 0.2413                 1.9306
 Delta2 Fr= 1--     -1.5373                 0.1359                 1.6389
 Raman1 Fr= 1--      30.248                  1.935                 24.802
 ROA1   Fr= 1--    -112.176                 27.514                237.779
 CID1   Fr= 1--      -3.709                 14.216                  9.587
 Raman2 Fr= 1--      11.942                  0.827                  9.986
 ROA2   Fr= 1--      -3.447                  4.703                 33.223
 CID2   Fr= 1--      -0.289                  5.686                  3.327
 Raman3 Fr= 1--      23.884                  1.654                 19.972
 ROA3   Fr= 1--    -112.176                 27.514                237.779
 CID3   Fr= 1--      -4.697                 16.631                 11.906
 RC180  Fr= 1--       0.579                  0.710                  0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.01
     3   6     0.01  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.00  -0.00
     5   6     0.01   0.00  -0.01     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00   0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00   0.00     0.00  -0.01   0.03    -0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00     0.00  -0.04   0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.03   0.03    -0.00  -0.00  -0.00
    11   6    -0.02  -0.00   0.01     0.00  -0.00   0.00    -0.02   0.03  -0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    13   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.02  -0.00   0.01    -0.02  -0.01   0.01    -0.00   0.00  -0.00
    16   1    -0.03   0.01  -0.01     0.01  -0.00   0.01    -0.00  -0.00  -0.00
    17   1    -0.01  -0.00   0.00    -0.00  -0.00   0.01    -0.01  -0.02   0.00
    18   1    -0.02   0.00  -0.01     0.02  -0.00   0.01    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.04  -0.03  -0.00     0.00   0.01  -0.00
    20   1     0.00  -0.00   0.00     0.05   0.03   0.01    -0.01  -0.00   0.00
    21   1    -0.00  -0.00  -0.00    -0.01   0.03  -0.08     0.00   0.00   0.00
    22   1     0.00   0.00   0.00     0.12   0.47  -0.01    -0.00  -0.01  -0.00
    23   1    -0.01   0.00  -0.00    -0.35   0.21   0.08     0.01  -0.01   0.00
    24   1    -0.00  -0.00  -0.00     0.14  -0.13  -0.20     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00    -0.17   0.22  -0.05     0.01  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.35  -0.19  -0.14    -0.01   0.00   0.00
    27   1     0.00   0.00   0.00    -0.15  -0.37  -0.28     0.00   0.01   0.01
    28   1     0.07   0.02   0.04    -0.02   0.00  -0.00     0.01  -0.05  -0.03
    29   6    -0.04  -0.01   0.03    -0.00   0.00  -0.00    -0.03   0.04  -0.02
    30   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    31   1     0.03  -0.46  -0.13     0.02  -0.01   0.00     0.61  -0.24   0.02
    32   1     0.02   0.51   0.05     0.00  -0.01   0.01     0.06  -0.34   0.54
    33   1     0.51   0.11  -0.47    -0.00  -0.00  -0.01    -0.25  -0.06  -0.30
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.8860              1512.7628              1551.8558
 Red. masses --      1.0505                 1.0556                 2.4222
 Frc consts  --      1.4091                 1.4233                 3.4368
 IR Inten    --     11.8050                10.4743                24.2525
 RamAct Fr= 1--      1.8949                 4.5248                 0.4745
  Dep-P Fr= 1--      0.3653                 0.6667                 0.7495
  Dep-U Fr= 1--      0.5351                 0.8000                 0.8568
 Alpha2 Fr= 1--      0.0158                 0.0067                 0.0000
 Beta2  Fr= 1--      0.1690                 0.6033                 0.0678
 AlphaG Fr= 1--      0.0027                -0.0011                -0.0003
 Gamma2 Fr= 1--      0.1638                -0.1700                 0.1614
 Delta2 Fr= 1--      0.0945                 0.0186                 0.3736
 Raman1 Fr= 1--       7.580                 18.099                  1.898
 ROA1   Fr= 1--      18.744                -15.726                 27.452
 CID1   Fr= 1--       2.473                 -0.869                 14.464
 Raman2 Fr= 1--       2.028                  7.240                  0.813
 ROA2   Fr= 1--       3.174                 -4.230                  0.885
 CID2   Fr= 1--       1.565                 -0.584                  1.089
 Raman3 Fr= 1--       4.056                 14.480                  1.626
 ROA3   Fr= 1--      18.744                -15.726                 27.452
 CID3   Fr= 1--       4.621                 -1.086                 16.881
 RC180  Fr= 1--       0.070                  0.600                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08  -0.03   0.10
     2   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.02
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.11   0.04  -0.08
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.15  -0.01  -0.02
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     7   6     0.02  -0.02  -0.01     0.01  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.03  -0.01  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     9   6     0.03  -0.01   0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
    10   6     0.02   0.00  -0.02    -0.02  -0.01  -0.03     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.01
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.01
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.39   0.03  -0.21
    16   1    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.43  -0.09   0.11
    17   1    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.43   0.03  -0.24
    18   1    -0.00   0.00   0.00    -0.01  -0.01  -0.01     0.44  -0.08   0.11
    19   1    -0.12   0.22  -0.09    -0.03   0.07  -0.02    -0.04   0.02  -0.00
    20   1    -0.09   0.11   0.23    -0.02   0.04   0.07    -0.04   0.02   0.02
    21   1     0.02  -0.05  -0.02     0.01   0.07   0.02     0.01   0.05   0.02
    22   1     0.10   0.12   0.22     0.06   0.45  -0.19     0.01   0.02   0.00
    23   1    -0.29   0.28  -0.20    -0.20   0.07   0.21    -0.03   0.02   0.00
    24   1    -0.29  -0.23  -0.14     0.36  -0.02  -0.17    -0.00  -0.02  -0.01
    25   1    -0.27  -0.29   0.02     0.38  -0.10   0.05    -0.00  -0.02   0.00
    26   1    -0.22   0.07   0.37    -0.23   0.17  -0.08    -0.02   0.01   0.01
    27   1     0.06   0.23  -0.11     0.12   0.24   0.40     0.01   0.02   0.01
    28   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.01
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.04  -0.01
    32   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.06   0.02
    33   1    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.06   0.01  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.0236              1658.0384              1809.4309
 Red. masses --      5.9298                 5.7996                 9.5570
 Frc consts  --      9.1353                 9.3938                18.4355
 IR Inten    --      0.0349                 1.3501               327.2990
 RamAct Fr= 1--      2.0917               111.8329                16.3554
  Dep-P Fr= 1--      0.6971                 0.4791                 0.1690
  Dep-U Fr= 1--      0.8215                 0.6478                 0.2891
 Alpha2 Fr= 1--      0.0019                 0.6070                 0.2409
 Beta2  Fr= 1--      0.2864                12.0739                 0.7880
 AlphaG Fr= 1--     -0.0392                 0.1192                -0.1008
 Gamma2 Fr= 1--      0.0466                 0.0279                 0.9736
 Delta2 Fr= 1--     -0.0628                 0.3773                -2.4580
 Raman1 Fr= 1--       8.367                447.332                 65.422
 ROA1   Fr= 1--       2.463                 14.756                 14.808
 CID1   Fr= 1--       0.294                  0.033                  0.226
 Raman2 Fr= 1--       3.437                144.887                  9.456
 ROA2   Fr= 1--       1.621                 -2.348                 43.029
 CID2   Fr= 1--       0.472                 -0.016                  4.550
 Raman3 Fr= 1--       6.874                289.774                 18.913
 ROA3   Fr= 1--       2.463                 14.756                 14.808
 CID3   Fr= 1--       0.358                  0.051                  0.783
 RC180  Fr= 1--       0.643                  0.296                 -0.422
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.06   0.21     0.28   0.01  -0.11     0.01  -0.00  -0.00
     2   6    -0.03   0.11  -0.32    -0.21   0.01   0.03    -0.00   0.00   0.00
     3   6    -0.12   0.08  -0.18    -0.28   0.05  -0.04    -0.01   0.00  -0.00
     4   6     0.04  -0.11   0.32     0.19  -0.02  -0.02     0.03  -0.00  -0.01
     5   6     0.07   0.06  -0.20    -0.27  -0.00   0.11    -0.01  -0.00   0.01
     6   6     0.11  -0.07   0.18     0.30  -0.05   0.04     0.01  -0.00  -0.00
     7   6     0.00  -0.01   0.04     0.03  -0.01  -0.01     0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.01     0.00   0.01   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.01     0.01  -0.06  -0.04
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.02    -0.12   0.42   0.55
    13   8     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.07  -0.24  -0.37
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.03  -0.05
    15   1     0.31  -0.02  -0.05    -0.26  -0.06   0.27    -0.01  -0.00   0.01
    16   1     0.31  -0.03  -0.03     0.28  -0.10   0.18     0.02   0.01   0.01
    17   1    -0.31   0.01   0.05     0.26   0.06  -0.28     0.03  -0.00  -0.02
    18   1    -0.30   0.02   0.03    -0.31   0.10  -0.20    -0.00   0.00  -0.01
    19   1    -0.21  -0.03  -0.01     0.02   0.01  -0.01    -0.00   0.00  -0.00
    20   1     0.20   0.04  -0.03     0.02   0.00   0.01    -0.00  -0.00   0.00
    21   1    -0.00   0.01  -0.01    -0.01  -0.04  -0.01    -0.00  -0.00  -0.00
    22   1     0.01   0.01   0.01    -0.00  -0.01   0.00     0.00   0.00   0.00
    23   1    -0.02   0.01  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.01    -0.00   0.00   0.01     0.00   0.00  -0.00
    25   1     0.00   0.02  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    26   1     0.01  -0.01  -0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01     0.00   0.00   0.00
    28   1     0.28  -0.05   0.01    -0.00  -0.00   0.00    -0.08   0.23   0.08
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    30   1     0.00  -0.00   0.01     0.00   0.00  -0.01     0.02  -0.08   0.47
    31   1     0.03   0.02   0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    32   1    -0.00  -0.03   0.01     0.00   0.02   0.01     0.01   0.02   0.02
    33   1    -0.02   0.00   0.01     0.02   0.00   0.00     0.03  -0.01   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.7187              3026.0213              3027.3665
 Red. masses --      1.0816                 1.0346                 1.0486
 Frc consts  --      5.7457                 5.5815                 5.6624
 IR Inten    --     21.7719                35.0566                41.9411
 RamAct Fr= 1--    140.9358                13.1683                54.4597
  Dep-P Fr= 1--      0.4625                 0.7274                 0.5682
  Dep-U Fr= 1--      0.6325                 0.8422                 0.7246
 Alpha2 Fr= 1--      0.8209                 0.0051                 0.1871
 Beta2  Fr= 1--     14.8563                 1.8483                 6.5771
 AlphaG Fr= 1--      0.0091                 0.0018                -0.0845
 Gamma2 Fr= 1--      0.5363                 0.6145                 0.0841
 Delta2 Fr= 1--     -0.8532                -0.5486                 0.6955
 Raman1 Fr= 1--     563.743                 52.673                217.839
 ROA1   Fr= 1--      24.179                 41.435                 30.331
 CID1   Fr= 1--       0.043                  0.787                  0.139
 Raman2 Fr= 1--     178.275                 22.180                 78.926
 ROA2   Fr= 1--      19.695                 19.136                 -3.546
 CID2   Fr= 1--       0.110                  0.863                 -0.045
 Raman3 Fr= 1--     356.550                 44.360                157.851
 ROA3   Fr= 1--      24.179                 41.435                 30.331
 CID3   Fr= 1--       0.068                  0.934                  0.192
 RC180  Fr= 1--       0.265                  0.684                  0.449
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.02  -0.04  -0.02
     8   6    -0.08   0.02   0.01    -0.00  -0.00   0.00     0.01  -0.00  -0.00
     9   6     0.01  -0.00   0.00     0.00  -0.00  -0.03    -0.00  -0.00  -0.03
    10   6     0.01   0.00  -0.00    -0.01   0.03  -0.02     0.00  -0.01   0.02
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    19   1    -0.04   0.03   0.18     0.01  -0.01  -0.04    -0.10   0.10   0.48
    20   1    -0.07   0.13  -0.11     0.01  -0.01   0.01    -0.18   0.36  -0.29
    21   1     0.91  -0.20  -0.17     0.01  -0.00  -0.00    -0.16   0.03   0.03
    22   1    -0.08   0.02   0.02    -0.34   0.08   0.07    -0.25   0.06   0.05
    23   1    -0.03  -0.04  -0.01     0.22   0.30   0.07     0.17   0.24   0.06
    24   1    -0.01   0.04  -0.03     0.12  -0.32   0.24     0.10  -0.28   0.20
    25   1    -0.00   0.01   0.05    -0.06   0.11   0.45     0.03  -0.07  -0.29
    26   1    -0.03  -0.04  -0.01    -0.24  -0.33  -0.09     0.14   0.19   0.06
    27   1    -0.08   0.02   0.01     0.38  -0.10  -0.07    -0.20   0.05   0.03
    28   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.8955              3045.4560              3063.5875
 Red. masses --      1.0477                 1.0362                 1.1039
 Frc consts  --      5.6781                 5.6624                 6.1046
 IR Inten    --     18.7608                27.7217                18.1704
 RamAct Fr= 1--    529.3916               226.9936                55.3586
  Dep-P Fr= 1--      0.0100                 0.0596                 0.7496
  Dep-U Fr= 1--      0.0197                 0.1124                 0.8569
 Alpha2 Fr= 1--     11.4933                 4.3827                 0.0004
 Beta2  Fr= 1--      1.7418                 4.2529                 7.9058
 AlphaG Fr= 1--      0.4142                -0.6409                -0.0263
 Gamma2 Fr= 1--      0.8108                 0.2886                 0.5279
 Delta2 Fr= 1--     -0.2929                 2.5198                 0.9520
 Raman1 Fr= 1--    2117.567                907.974                221.434
 ROA1   Fr= 1--      68.466                108.340                 81.143
 CID1   Fr= 1--       0.032                  0.119                  0.366
 Raman2 Fr= 1--      20.901                 51.035                 94.870
 ROA2   Fr= 1--      21.802                -13.232                  5.053
 CID2   Fr= 1--       1.043                 -0.259                  0.053
 Raman3 Fr= 1--      41.802                102.069                189.740
 ROA3   Fr= 1--      68.466                108.340                 81.143
 CID3   Fr= 1--       1.638                  1.061                  0.428
 RC180  Fr= 1--      -0.961                 -0.775                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.02  -0.04  -0.02     0.00  -0.00  -0.00    -0.01   0.03  -0.09
     8   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00   0.03    -0.00  -0.00   0.00     0.00  -0.01   0.00
    10   6    -0.01   0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01   0.01  -0.01
    16   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    18   1     0.01   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    19   1    -0.09   0.10   0.45    -0.00   0.00   0.01    -0.14   0.16   0.66
    20   1    -0.16   0.34  -0.26    -0.00   0.00  -0.00     0.26  -0.53   0.39
    21   1    -0.18   0.04   0.03    -0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.30  -0.07  -0.06     0.00  -0.00  -0.00    -0.03   0.01   0.01
    23   1    -0.16  -0.22  -0.06    -0.00  -0.00  -0.00     0.03   0.03   0.01
    24   1    -0.09   0.25  -0.18    -0.00   0.00  -0.00    -0.01   0.04  -0.03
    25   1    -0.04   0.07   0.30    -0.00   0.00   0.00     0.01  -0.01  -0.05
    26   1    -0.16  -0.21  -0.06    -0.00  -0.00  -0.00    -0.03  -0.03  -0.01
    27   1     0.29  -0.07  -0.05     0.00  -0.00  -0.00     0.03  -0.01  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.08  -0.15   0.40    -0.00  -0.00   0.00
    32   1    -0.01   0.00   0.00     0.67  -0.06  -0.13     0.00  -0.00  -0.00
    33   1     0.00  -0.01   0.00    -0.16   0.55  -0.04    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3084.3543              3085.7927              3088.3366
 Red. masses --      1.0851                 1.1020                 1.1008
 Frc consts  --      6.0823                 6.1823                 6.1858
 IR Inten    --      3.7551                15.5184                50.3847
 RamAct Fr= 1--     59.6029                39.1237               136.1844
  Dep-P Fr= 1--      0.2287                 0.7477                 0.6916
  Dep-U Fr= 1--      0.3722                 0.8556                 0.8177
 Alpha2 Fr= 1--      0.7493                 0.0015                 0.1392
 Beta2  Fr= 1--      3.6975                 5.5793                18.5600
 AlphaG Fr= 1--      0.2958                -0.0875                -0.0010
 Gamma2 Fr= 1--     -4.5996                 3.0344                 0.2719
 Delta2 Fr= 1--     -4.2773                 2.2138                -1.6783
 Raman1 Fr= 1--     238.411                156.495                544.738
 ROA1   Fr= 1--    -578.440                362.142                -27.603
 CID1   Fr= 1--      -2.426                  2.314                 -0.051
 Raman2 Fr= 1--      44.370                 66.952                222.720
 ROA2   Fr= 1--     -76.173                 55.114                 19.952
 CID2   Fr= 1--      -1.717                  0.823                  0.090
 Raman3 Fr= 1--      88.740                133.904                445.440
 ROA3   Fr= 1--    -578.440                362.142                -27.603
 CID3   Fr= 1--      -6.518                  2.704                 -0.062
 RC180  Fr= 1--      -0.256                  0.711                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00     0.01   0.06  -0.01    -0.00  -0.07   0.01
    10   6     0.00   0.00   0.00    -0.01  -0.04  -0.05    -0.01  -0.04  -0.05
    11   6     0.02   0.03  -0.07     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
    16   1     0.02   0.01  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.01
    19   1     0.00  -0.00  -0.00    -0.01   0.02   0.06    -0.00   0.00   0.01
    20   1     0.00   0.00  -0.00     0.02  -0.05   0.04    -0.01   0.02  -0.01
    21   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.03   0.01   0.01
    22   1    -0.00   0.00   0.00     0.05   0.00  -0.01    -0.12   0.01   0.03
    23   1     0.00   0.00   0.00    -0.28  -0.37  -0.10     0.30   0.39   0.12
    24   1    -0.00   0.00  -0.00     0.13  -0.35   0.27    -0.15   0.40  -0.31
    25   1     0.00  -0.00  -0.01    -0.07   0.11   0.50    -0.06   0.10   0.46
    26   1    -0.01  -0.01  -0.00     0.31   0.41   0.10     0.26   0.34   0.08
    27   1    -0.00   0.00   0.00    -0.07   0.01  -0.00    -0.14   0.03   0.01
    28   1    -0.19  -0.34   0.89    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    29   6    -0.01  -0.01   0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1     0.04   0.07  -0.19     0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.07  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1    -0.01   0.03   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3092.0368              3097.1395              3107.0048
 Red. masses --      1.1017                 1.1008                 1.1021
 Frc consts  --      6.2059                 6.2213                 6.2685
 IR Inten    --      6.9290                76.0051                25.2385
 RamAct Fr= 1--     11.6943                63.1967               103.1746
  Dep-P Fr= 1--      0.7493                 0.4948                 0.7137
  Dep-U Fr= 1--      0.8567                 0.6621                 0.8329
 Alpha2 Fr= 1--      0.0001                 0.3196                 0.0648
 Beta2  Fr= 1--      1.6697                 6.9735                14.3227
 AlphaG Fr= 1--      0.0147                -0.0495                 0.1076
 Gamma2 Fr= 1--     -1.3803                -0.5663                -1.4712
 Delta2 Fr= 1--     -0.2463                 0.7052                -3.3585
 Raman1 Fr= 1--      46.777                252.787                412.698
 ROA1   Fr= 1--    -140.393                -31.802               -248.712
 CID1   Fr= 1--      -3.001                 -0.126                 -0.603
 Raman2 Fr= 1--      20.036                 83.682                171.872
 ROA2   Fr= 1--     -31.157                -19.234                 -8.441
 CID2   Fr= 1--      -1.555                 -0.230                 -0.049
 Raman3 Fr= 1--      40.072                167.363                343.745
 ROA3   Fr= 1--    -140.393                -31.802               -248.712
 CID3   Fr= 1--      -3.504                 -0.190                 -0.724
 RC180  Fr= 1--       0.713                  0.324                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
     9   6     0.06  -0.01   0.01    -0.07  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.06  -0.00   0.02    -0.06  -0.01   0.01    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
    19   1     0.01  -0.01  -0.03     0.00  -0.00  -0.02     0.00  -0.00  -0.00
    20   1    -0.01   0.02  -0.02     0.01  -0.02   0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00   0.00     0.16  -0.04  -0.03     0.00  -0.00  -0.00
    22   1    -0.55   0.14   0.13     0.56  -0.14  -0.13     0.00  -0.00  -0.00
    23   1    -0.15  -0.23  -0.06     0.20   0.29   0.08     0.00   0.00   0.00
    24   1    -0.05   0.19  -0.14     0.04  -0.15   0.11    -0.00  -0.00   0.00
    25   1     0.01  -0.05  -0.22     0.01  -0.04  -0.16    -0.00  -0.00   0.00
    26   1     0.17   0.25   0.07     0.19   0.28   0.08     0.00   0.00   0.00
    27   1     0.58  -0.16  -0.09     0.53  -0.15  -0.08     0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.06
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.07  -0.06  -0.02
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.06   0.14
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.67   0.04   0.13
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.18   0.68  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3131.1290              3163.6617              3168.2926
 Red. masses --      1.1003                 1.0868                 1.0879
 Frc consts  --      6.3559                 6.4087                 6.4339
 IR Inten    --     14.9314                10.3252                10.9078
 RamAct Fr= 1--     27.8000                46.8901                60.5678
  Dep-P Fr= 1--      0.6486                 0.7465                 0.5145
  Dep-U Fr= 1--      0.7868                 0.8549                 0.6794
 Alpha2 Fr= 1--      0.0507                 0.0027                 0.2791
 Beta2  Fr= 1--      3.6457                 6.6809                 6.8583
 AlphaG Fr= 1--     -0.0001                -0.0251                -0.2762
 Gamma2 Fr= 1--     -1.7944                 1.0180                -2.2532
 Delta2 Fr= 1--      0.4360                 0.9966                 0.3224
 Raman1 Fr= 1--     111.200                187.560                242.271
 ROA1   Fr= 1--    -158.305                129.622               -205.987
 CID1   Fr= 1--      -1.424                  0.691                 -0.850
 Raman2 Fr= 1--      43.748                 80.171                 82.300
 ROA2   Fr= 1--     -46.553                 16.460                -56.656
 CID2   Fr= 1--      -1.064                  0.205                 -0.688
 Raman3 Fr= 1--      87.496                160.342                164.599
 ROA3   Fr= 1--    -158.305                129.622               -205.987
 CID3   Fr= 1--      -1.809                  0.808                 -1.251
 RC180  Fr= 1--       0.574                  0.710                  0.359
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.02   0.04    -0.00   0.00  -0.01
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.02   0.02  -0.06     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.02
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.07
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.01  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.38   0.22  -0.51     0.05  -0.03   0.07
    16   1     0.01   0.01  -0.02    -0.29  -0.18   0.65    -0.00  -0.00   0.00
    17   1    -0.03   0.02  -0.04    -0.02   0.01  -0.02    -0.19   0.11  -0.26
    18   1    -0.00  -0.00   0.01    -0.02  -0.01   0.04    -0.37  -0.23   0.82
    19   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.02
    20   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    28   1    -0.04  -0.07   0.19    -0.01  -0.01   0.03     0.00   0.00  -0.00
    29   6     0.02   0.05  -0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.15  -0.28   0.81    -0.00  -0.00   0.01     0.00   0.01  -0.02
    32   1    -0.20   0.03   0.03    -0.00   0.00   0.00     0.01  -0.00  -0.00
    33   1     0.11  -0.38   0.01     0.00  -0.00  -0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3180.4236              3193.7799              3727.7406
 Red. masses --      1.0937                 1.0924                 1.0641
 Frc consts  --      6.5183                 6.5653                 8.7118
 IR Inten    --     14.8008                 5.5895                66.7496
 RamAct Fr= 1--    124.5974               116.3142               103.9886
  Dep-P Fr= 1--      0.1324                 0.1370                 0.2346
  Dep-U Fr= 1--      0.2339                 0.2410                 0.3800
 Alpha2 Fr= 1--      2.0132                 1.8580                 1.2864
 Beta2  Fr= 1--      4.8576                 4.6717                 6.5858
 AlphaG Fr= 1--      0.2778                -0.0877                 0.0033
 Gamma2 Fr= 1--      2.7044                 1.0228                 2.9820
 Delta2 Fr= 1--     -0.5637                 0.5397                -0.5545
 Raman1 Fr= 1--     498.390                465.257                415.955
 ROA1   Fr= 1--     241.583                115.460                268.530
 CID1   Fr= 1--       0.485                  0.248                  0.646
 Raman2 Fr= 1--      58.291                 56.061                 79.029
 ROA2   Fr= 1--      69.416                 20.230                 76.004
 CID2   Fr= 1--       1.191                  0.361                  0.962
 Raman3 Fr= 1--     116.581                112.122                158.059
 ROA3   Fr= 1--     241.583                115.460                268.530
 CID3   Fr= 1--       2.072                  1.030                  1.699
 RC180  Fr= 1--      -0.532                 -0.518                 -0.240
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.05     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.03   0.01  -0.05    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.01    -0.05   0.03  -0.06    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.01   0.01  -0.03     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.01  -0.06  -0.01
    15   1     0.42  -0.24   0.55    -0.04   0.02  -0.05    -0.00   0.00  -0.00
    16   1    -0.27  -0.17   0.59     0.02   0.01  -0.04     0.00  -0.00  -0.00
    17   1     0.05  -0.03   0.07     0.53  -0.30   0.70     0.00  -0.00  -0.00
    18   1     0.01   0.01  -0.03    -0.14  -0.08   0.30    -0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.01  -0.01   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.24   0.96   0.11
    31   1    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.00   0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    33   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1536.862066268.961776454.32596
           X            0.99974   0.02180   0.00655
           Y           -0.02114   0.99583  -0.08879
           Z           -0.00846   0.08863   0.99603
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05636     0.01382     0.01342
 Rotational constants (GHZ):           1.17430     0.28789     0.27962
 Zero-point vibrational energy     747300.4 (Joules/Mol)
                                  178.60908 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.51    55.66    69.07    87.25   130.95
          (Kelvin)            167.91   234.51   287.75   335.08   357.18
                              367.22   387.10   407.70   482.00   516.75
                              563.93   585.11   589.56   609.32   705.49
                              804.64   842.99   879.37   920.54   954.31
                             1027.03  1092.05  1129.34  1181.39  1192.12
                             1229.51  1231.11  1250.62  1295.94  1356.56
                             1381.12  1394.75  1400.95  1408.29  1441.51
                             1504.23  1524.87  1565.30  1593.95  1597.32
                             1656.73  1707.95  1731.40  1747.70  1759.92
                             1780.35  1791.31  1867.56  1884.50  1929.43
                             1937.01  1947.18  1975.54  1980.31  1997.33
                             2022.33  2040.14  2050.68  2102.17  2142.72
                             2143.59  2152.00  2155.15  2160.89  2170.95
                             2176.53  2232.77  2326.54  2385.55  2603.37
                             4320.24  4353.77  4355.71  4363.66  4381.73
                             4407.82  4437.70  4439.77  4443.43  4448.75
                             4456.09  4470.29  4505.00  4551.80  4558.47
                             4575.92  4595.14  5363.39
 
 Zero-point correction=                           0.284632 (Hartree/Particle)
 Thermal correction to Energy=                    0.300138
 Thermal correction to Enthalpy=                  0.301082
 Thermal correction to Gibbs Free Energy=         0.240431
 Sum of electronic and zero-point Energies=           -656.737336
 Sum of electronic and thermal Energies=              -656.721830
 Sum of electronic and thermal Enthalpies=            -656.720886
 Sum of electronic and thermal Free Energies=         -656.781537
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.339             58.569            127.650
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.497
 Vibrational            186.562             52.607             53.278
 Vibration     1          0.593              1.985              6.454
 Vibration     2          0.594              1.981              5.325
 Vibration     3          0.595              1.978              4.898
 Vibration     4          0.597              1.973              4.436
 Vibration     5          0.602              1.956              3.638
 Vibration     6          0.608              1.936              3.154
 Vibration     7          0.623              1.888              2.515
 Vibration     8          0.638              1.840              2.133
 Vibration     9          0.654              1.791              1.857
 Vibration    10          0.662              1.766              1.743
 Vibration    11          0.666              1.754              1.694
 Vibration    12          0.673              1.730              1.602
 Vibration    13          0.682              1.704              1.513
 Vibration    14          0.716              1.606              1.236
 Vibration    15          0.734              1.556              1.126
 Vibration    16          0.759              1.487              0.993
 Vibration    17          0.771              1.456              0.938
 Vibration    18          0.774              1.449              0.927
 Vibration    19          0.786              1.419              0.880
 Vibration    20          0.846              1.271              0.683
 Vibration    21          0.915              1.119              0.525
 Vibration    22          0.943              1.062              0.475
 Vibration    23          0.970              1.008              0.431
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.256657-110       -110.590646       -254.644373
 Total V=0       0.214154D+21         20.330727         46.813229
 Vib (Bot)       0.781627-125       -125.107000       -288.069514
 Vib (Bot)    1  0.945881D+01          0.975836          2.246946
 Vib (Bot)    2  0.534842D+01          0.728226          1.676801
 Vib (Bot)    3  0.430722D+01          0.634197          1.460293
 Vib (Bot)    4  0.340516D+01          0.532137          1.225291
 Vib (Bot)    5  0.225860D+01          0.353838          0.814743
 Vib (Bot)    6  0.175235D+01          0.243622          0.560960
 Vib (Bot)    7  0.123917D+01          0.093132          0.214445
 Vib (Bot)    8  0.996983D+00         -0.001312         -0.003021
 Vib (Bot)    9  0.844621D+00         -0.073338         -0.168868
 Vib (Bot)   10  0.786827D+00         -0.104121         -0.239748
 Vib (Bot)   11  0.762766D+00         -0.117608         -0.270803
 Vib (Bot)   12  0.718659D+00         -0.143477         -0.330368
 Vib (Bot)   13  0.677282D+00         -0.169230         -0.389667
 Vib (Bot)   14  0.556014D+00         -0.254914         -0.586961
 Vib (Bot)   15  0.510618D+00         -0.291904         -0.672133
 Vib (Bot)   16  0.457399D+00         -0.339705         -0.782200
 Vib (Bot)   17  0.436127D+00         -0.360387         -0.829822
 Vib (Bot)   18  0.431840D+00         -0.364678         -0.839701
 Vib (Bot)   19  0.413501D+00         -0.383523         -0.883095
 Vib (Bot)   20  0.338046D+00         -0.471024         -1.084573
 Vib (Bot)   21  0.278113D+00         -0.555779         -1.279729
 Vib (Bot)   22  0.258538D+00         -0.587475         -1.352711
 Vib (Bot)   23  0.241490D+00         -0.617100         -1.420926
 Vib (V=0)       0.652188D+06          5.814373         13.388088
 Vib (V=0)    1  0.997201D+01          0.998783          2.299783
 Vib (V=0)    2  0.587174D+01          0.768767          1.770151
 Vib (V=0)    3  0.483615D+01          0.684499          1.576118
 Vib (V=0)    4  0.394167D+01          0.595680          1.371605
 Vib (V=0)    5  0.281328D+01          0.449213          1.034350
 Vib (V=0)    6  0.232229D+01          0.365917          0.842554
 Vib (V=0)    7  0.183625D+01          0.263931          0.607723
 Vib (V=0)    8  0.161534D+01          0.208263          0.479543
 Vib (V=0)    9  0.148152D+01          0.170708          0.393069
 Vib (V=0)   10  0.143225D+01          0.156020          0.359249
 Vib (V=0)   11  0.141204D+01          0.149846          0.345034
 Vib (V=0)   12  0.137548D+01          0.138455          0.318805
 Vib (V=0)   13  0.134185D+01          0.127704          0.294049
 Vib (V=0)   14  0.124776D+01          0.096133          0.221354
 Vib (V=0)   15  0.121465D+01          0.084453          0.194460
 Vib (V=0)   16  0.117765D+01          0.071017          0.163524
 Vib (V=0)   17  0.116348D+01          0.065759          0.151416
 Vib (V=0)   18  0.116067D+01          0.064709          0.148998
 Vib (V=0)   19  0.114883D+01          0.060257          0.138746
 Vib (V=0)   20  0.110355D+01          0.042793          0.098534
 Vib (V=0)   21  0.107214D+01          0.030252          0.069659
 Vib (V=0)   22  0.106289D+01          0.026487          0.060989
 Vib (V=0)   23  0.105526D+01          0.023361          0.053790
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.282284D+07          6.450686         14.853254
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665555444444443333333222222111100009999998888877766655444433322222211     
     2        98663099888643220                           051510099986210877544194321085108640776640655228516418592109538654306196432
     8        40841772864453763                           987239286091586863361085735371088052949031965915943016904072953958303711892
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXX XXXXXXXXXXXXXXXXXXXXXXXXXXXXX X XXXXXXXXXXXXXXXXXXXXXXXXX   X  XXXX
     X             XX X   X XX                            X                           X    X X      X        XXX                     
     X              X X     X                             X                           X    X                 X X                     
     X              X                                     X                           X    X                                         
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000016721    0.000003309    0.000007701
      2        6          -0.000000552    0.000005020   -0.000017200
      3        6           0.000019258   -0.000000280    0.000000871
      4        6          -0.000003579   -0.000013293    0.000002095
      5        6          -0.000009958    0.000004959    0.000004556
      6        6           0.000014302   -0.000000482    0.000005919
      7        6          -0.000008578   -0.000001339    0.000003270
      8        6           0.000000922    0.000002956    0.000001705
      9        6           0.000001363   -0.000004764   -0.000011996
     10        6           0.000002443   -0.000007684    0.000007161
     11        6           0.000018029    0.000014361    0.000001318
     12        6          -0.000004360    0.000008445   -0.000092390
     13        8          -0.000005339    0.000016095    0.000037841
     14        8           0.000003966   -0.000018816    0.000052425
     15        1           0.000002993   -0.000002129   -0.000001545
     16        1          -0.000003488    0.000003544    0.000000234
     17        1           0.000005593   -0.000000754    0.000002399
     18        1          -0.000002863   -0.000003471    0.000000722
     19        1           0.000004998   -0.000002235    0.000001084
     20        1           0.000001306    0.000000637   -0.000000732
     21        1           0.000003226    0.000001055   -0.000000580
     22        1          -0.000003331    0.000001944    0.000005926
     23        1           0.000000781    0.000000535   -0.000001448
     24        1          -0.000001727    0.000000484   -0.000000227
     25        1          -0.000000353   -0.000001486   -0.000002116
     26        1          -0.000000379    0.000000426   -0.000000489
     27        1          -0.000000225    0.000004190   -0.000002484
     28        1          -0.000001076    0.000001824   -0.000000275
     29        6          -0.000011055   -0.000009114   -0.000000093
     30        1           0.000000292    0.000003588   -0.000001558
     31        1          -0.000003176   -0.000004359    0.000005838
     32        1          -0.000001519   -0.000001361   -0.000005922
     33        1          -0.000001194   -0.000001800   -0.000002008
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000092390 RMS     0.000012937
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.207480D+03 -0.821377D+00 -0.797638D+00
      2  -0.821377D+00  0.135538D+03 -0.648106D+01
      3  -0.797638D+00 -0.648106D+01  0.154302D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.321401D+01 -0.820438D+01  0.219824D+02
      2   0.110868D+02 -0.927010D+01  0.454387D+02
      3  -0.116603D+03 -0.371175D+02  0.123996D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.163691D+03  0.545095D+02 -0.249489D+01
      2  -0.877697D+02 -0.313720D+02  0.168822D+02
      3  -0.759210D+02 -0.231375D+02 -0.143873D+02
      4  -0.245596D+02  0.730082D+02 -0.263389D+02
      5  -0.424399D+01 -0.289797D+02  0.980333D+02
      6  -0.113521D+02  0.143783D+02 -0.266387D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.850796D+01  0.466354D+00  0.895317D+00 -0.170035D+01  0.154695D+01
      2   0.466354D+00  0.162764D+01 -0.664848D+00  0.154695D+01 -0.328669D+01
      3   0.895317D+00 -0.664848D+00  0.251198D+01  0.165949D+01  0.213504D+01
                 6             7             8             9            10 
      1   0.165949D+01  0.117774D+02  0.145531D+01 -0.785455D+00  0.281036D+02
      2   0.213504D+01  0.145531D+01  0.188005D-01  0.140556D+01  0.172094D+01
      3   0.839680D+00 -0.785455D+00  0.140556D+01  0.835022D+00 -0.124101D+01
                11            12            13            14            15 
      1   0.172094D+01 -0.124101D+01 -0.293057D+00  0.415963D+01  0.116091D+01
      2   0.197035D+01 -0.608793D+00  0.415963D+01 -0.112786D+01 -0.124556D+00
      3  -0.608793D+00  0.275881D+01  0.116091D+01 -0.124556D+00 -0.580232D+00
                16            17            18            19            20 
      1  -0.270474D+01  0.910449D+00  0.110097D+01  0.114077D+02 -0.467223D+00
      2   0.910449D+00  0.275479D+00 -0.111617D+01 -0.467223D+00 -0.216796D+01
      3   0.110097D+01 -0.111617D+01 -0.528583D+00 -0.119008D+01  0.131768D+01
                21            22            23            24            25 
      1  -0.119008D+01 -0.384272D+01 -0.147562D+01 -0.139672D+00  0.984944D+01
      2   0.131768D+01 -0.147562D+01 -0.253004D+01  0.222560D+01 -0.150933D+01
      3  -0.136718D+01 -0.139672D+00  0.222560D+01  0.198911D+01  0.133266D+00
                26            27            28            29            30 
      1  -0.150933D+01  0.133266D+00 -0.251647D+02  0.168680D+00  0.830221D+00
      2   0.115792D+01  0.134302D+01  0.168680D+00 -0.156861D+01  0.226170D+00
      3   0.134302D+01  0.154056D+01  0.830221D+00  0.226170D+00 -0.269261D+01
                31            32            33            34            35 
      1   0.271137D+01 -0.460739D+01 -0.155651D+01  0.294673D+01 -0.144753D+01
      2  -0.460739D+01  0.717553D+00  0.484287D+00 -0.144753D+01  0.139291D+00
      3  -0.155651D+01  0.484287D+00 -0.116617D+00 -0.543202D+00 -0.970673D+00
                36            37            38            39            40 
      1  -0.543202D+00  0.824357D+01 -0.675540D+00 -0.601392D+00  0.325301D+01
      2  -0.970673D+00 -0.675540D+00 -0.813012D+00 -0.535796D+00 -0.166847D+01
      3   0.331494D+00 -0.601392D+00 -0.535796D+00 -0.261725D+01 -0.108543D+01
                41            42            43            44            45 
      1  -0.166847D+01 -0.108543D+01 -0.119110D+02  0.158937D+00  0.529319D+00
      2   0.217369D+01 -0.217111D+01  0.158937D+00 -0.114300D+01 -0.813880D+00
      3  -0.217111D+01 -0.105429D+01  0.529319D+00 -0.813880D+00 -0.128285D+01
                46            47            48            49            50 
      1  -0.103911D+02  0.520797D+00  0.801410D+00  0.515532D+01  0.206894D+01
      2   0.520797D+00  0.928614D+00  0.789792D-01  0.206894D+01  0.176620D+01
      3   0.801410D+00  0.789792D-01  0.132347D+01 -0.331718D+00 -0.272228D+01
                51            52            53            54            55 
      1  -0.331718D+00 -0.910533D+01  0.353112D+00 -0.297108D+00 -0.128743D+02
      2  -0.272228D+01  0.353112D+00 -0.138496D+01 -0.887134D+00 -0.290573D+01
      3  -0.222288D+01 -0.297108D+00 -0.887134D+00 -0.152118D+01 -0.509719D+00
                56            57            58            59            60 
      1  -0.290573D+01 -0.509719D+00 -0.649309D+01 -0.719947D+01 -0.430887D+00
      2  -0.387138D+01 -0.519406D-01 -0.719947D+01 -0.289219D-01 -0.195420D+01
      3  -0.519406D-01 -0.157410D+01 -0.430887D+00 -0.195420D+01  0.194835D+01
                61            62            63            64            65 
      1  -0.152464D+01 -0.547703D+00 -0.321356D+01 -0.477578D+01  0.445651D+01
      2  -0.547703D+00 -0.247242D+01  0.290151D+01  0.445651D+01  0.303438D+01
      3  -0.321356D+01  0.290151D+01  0.438769D+01  0.229220D+01 -0.189665D+00
                66            67            68            69            70 
      1   0.229220D+01  0.125197D+02  0.520455D+01 -0.909652D-02  0.492365D+01
      2  -0.189665D+00  0.520455D+01  0.193018D+01  0.305679D+01  0.629552D+00
      3   0.675924D+00 -0.909652D-02  0.305679D+01 -0.263692D+01  0.217170D+00
                71            72            73            74            75 
      1   0.629552D+00  0.217170D+00  0.308856D+01 -0.335410D+01 -0.245929D+01
      2   0.316935D+01 -0.249210D+01 -0.335410D+01 -0.336821D+01 -0.161112D+00
      3  -0.249210D+01 -0.395879D+01 -0.245929D+01 -0.161112D+00 -0.147038D+01
                76            77            78            79            80 
      1  -0.496838D+01 -0.441444D+01 -0.559798D-01 -0.297360D+01  0.207173D+00
      2  -0.441444D+01 -0.134087D+01 -0.406991D+01  0.207173D+00 -0.311941D+01
      3  -0.559798D-01 -0.406991D+01  0.268422D+01 -0.431354D+00  0.251895D+01
                81            82            83            84            85 
      1  -0.431354D+00  0.355910D+01 -0.381102D+01 -0.123119D+01 -0.542362D+01
      2   0.251895D+01 -0.381102D+01 -0.373776D+01  0.310367D+00 -0.374969D+01
      3   0.226672D+01 -0.123119D+01  0.310367D+00 -0.949114D+00 -0.178987D+00
                86            87            88            89            90 
      1  -0.374969D+01 -0.178987D+00 -0.176720D+01 -0.773775D+00 -0.766578D+00
      2  -0.268142D+01 -0.228599D+01 -0.773775D+00 -0.300991D+01  0.206105D+01
      3  -0.228599D+01  0.284292D+01 -0.766578D+00  0.206105D+01  0.575633D+01
                91            92            93            94            95 
      1   0.415596D+01  0.211698D+01  0.177361D+01 -0.214567D+01  0.530032D+01
      2   0.211698D+01  0.160381D+01  0.336744D+00  0.530032D+01 -0.325466D+01
      3   0.177361D+01  0.336744D+00  0.157188D+01  0.138073D+01  0.416374D+00
                96            97            98            99           100 
      1   0.138073D+01  0.286079D+01  0.182170D+01  0.247190D+01  0.446105D+00
      2   0.416374D+00  0.182170D+01  0.542755D+00  0.260911D+01 -0.884577D+00
      3   0.210917D+01  0.247190D+01  0.260911D+01 -0.328852D+01 -0.140933D+01
               101           102           103           104           105 
      1  -0.884577D+00 -0.140933D+01 -0.205037D+00 -0.567421D+00  0.106259D+01
      2   0.115970D-01  0.677249D+00 -0.567421D+00  0.206992D+01 -0.169882D+01
      3   0.677249D+00  0.423790D+00  0.106259D+01 -0.169882D+01 -0.288104D+01
               106           107           108           109           110 
      1  -0.325688D+01  0.135211D+01  0.933083D+00 -0.230509D+01  0.174082D+01
      2   0.135211D+01 -0.292687D+01 -0.302837D+01  0.174082D+01 -0.896067D+00
      3   0.933083D+00 -0.302837D+01 -0.223610D+01  0.306201D+01 -0.712260D+00
               111           112           113           114           115 
      1   0.306201D+01  0.268053D+01 -0.262780D+01 -0.152940D+01  0.545400D+01
      2  -0.712260D+00 -0.262780D+01  0.494283D+01  0.382197D+01 -0.251465D+01
      3  -0.127432D+01 -0.152940D+01  0.382197D+01  0.338891D+01 -0.291917D+01
               116           117           118           119           120 
      1  -0.251465D+01 -0.291917D+01  0.203392D+00 -0.315413D+00 -0.135740D+01
      2   0.455185D+01  0.395707D+01 -0.315413D+00  0.156546D+01 -0.132945D+00
      3   0.395707D+01  0.881007D+01 -0.135740D+01 -0.132945D+00 -0.135418D+00
               121           122           123           124           125 
      1  -0.118885D+01  0.243889D+01 -0.345902D+00 -0.328261D+01  0.869755D+00
      2   0.243889D+01 -0.584675D+01 -0.268573D+00  0.869755D+00 -0.174106D+01
      3  -0.345902D+00 -0.268573D+00 -0.119537D+00 -0.876651D+00  0.128407D+01
               126           127           128           129           130 
      1  -0.876651D+00  0.371928D+01 -0.881147D+00  0.250494D+01 -0.144422D+01
      2   0.128407D+01 -0.881147D+00  0.100486D+01 -0.909548D+00  0.768778D+00
      3  -0.384775D+01  0.250494D+01 -0.909548D+00  0.214267D+01 -0.119540D+01
               131           132           133           134           135 
      1   0.768778D+00 -0.119540D+01  0.253173D+01 -0.113391D+01  0.281223D+01
      2  -0.837688D+00  0.968898D+00 -0.113391D+01  0.170393D+01 -0.202724D+01
      3   0.968898D+00 -0.195768D+01  0.281223D+01 -0.202724D+01  0.496109D+01
               136           137           138           139           140 
      1  -0.213108D+01 -0.639094D+00  0.206187D+01 -0.395393D+00 -0.237981D+00
      2  -0.639094D+00 -0.404376D+00  0.606067D+00 -0.237981D+00 -0.622370D+00
      3   0.206187D+01  0.606067D+00 -0.212461D+01  0.672334D+00  0.867682D+00
               141           142           143           144           145 
      1   0.672334D+00  0.206662D+01  0.942033D+00 -0.259187D+01 -0.436597D+01
      2   0.867682D+00  0.942033D+00  0.162028D+01 -0.227219D+01  0.107642D+01
      3  -0.219286D+01 -0.259187D+01 -0.227219D+01  0.723139D+01 -0.208340D+01
               146           147           148           149           150 
      1   0.107642D+01 -0.208340D+01  0.157606D+01 -0.698709D+00  0.110980D+01
      2  -0.835110D+00  0.559056D+00 -0.698709D+00  0.675125D+00 -0.605604D+00
      3   0.559056D+00 -0.179713D+01  0.110980D+01 -0.605604D+00  0.176709D+01
               151           152           153           154           155 
      1  -0.239340D+01  0.826174D+00 -0.262700D+01  0.226536D+01  0.742410D+00
      2   0.826174D+00 -0.113418D+01  0.140500D+01  0.742410D+00  0.417395D+00
      3  -0.262700D+01  0.140500D+01 -0.475771D+01 -0.198167D+01 -0.326582D+00
               156           157           158           159           160 
      1  -0.198167D+01  0.394358D+00  0.280448D+00 -0.594441D+00 -0.222219D+01
      2  -0.326582D+00  0.280448D+00  0.440422D+00 -0.602532D+00 -0.801387D+00
      3   0.195740D+01 -0.594441D+00 -0.602532D+00  0.188993D+01  0.266503D+01
               161           162           163           164           165 
      1  -0.801387D+00  0.266503D+01  0.160952D+01 -0.518293D+00 -0.175786D+01
      2  -0.114071D+01  0.139420D+01 -0.518293D+00  0.950066D+00  0.498310D+00
      3   0.139420D+01 -0.713947D+01 -0.175786D+01  0.498310D+00  0.138238D+01
               166           167           168           169           170 
      1   0.810264D+00  0.157695D+01  0.574105D+00 -0.425905D+01  0.695170D+00
      2   0.157695D+01 -0.131301D+01 -0.136235D+01  0.695170D+00 -0.185279D+01
      3   0.574105D+00 -0.136235D+01 -0.144579D+01  0.286666D+01 -0.252414D+01
               171           172           173           174           175 
      1   0.286666D+01  0.314684D+01 -0.188006D+01  0.114943D+01 -0.245948D+01
      2  -0.252414D+01 -0.188006D+01  0.227909D+01 -0.401827D+00  0.318888D+01
      3  -0.644763D+01  0.114943D+01 -0.401827D+00  0.683002D+00 -0.609303D+00
               176           177           178           179           180 
      1   0.318888D+01 -0.609303D+00  0.405563D+01 -0.848478D+00  0.129544D+01
      2  -0.547568D+01  0.151490D+01 -0.848478D+00  0.263129D+01 -0.168925D+01
      3   0.151490D+01 -0.115515D+01  0.129544D+01 -0.168925D+01  0.107482D+01
               181           182           183           184           185 
      1   0.133094D+02 -0.151381D+01 -0.155106D+01 -0.300339D+01  0.119596D+01
      2  -0.151381D+01  0.111310D+01  0.183749D+00  0.119596D+01 -0.107404D+01
      3  -0.155106D+01  0.183749D+00  0.134678D+01  0.145876D+00 -0.683500D+00
               186           187           188           189           190 
      1   0.145876D+00 -0.204633D+01  0.331890D-01  0.196982D+01 -0.680801D+01
      2  -0.683500D+00  0.331890D-01 -0.727483D+00  0.909250D-01  0.403135D+00
      3  -0.554825D-01  0.196982D+01  0.909250D-01 -0.280428D+00  0.701327D+00
               191           192           193           194           195 
      1   0.403135D+00  0.701327D+00  0.339498D+00 -0.744964D+00 -0.649430D+00
      2  -0.122370D+01 -0.744627D+00 -0.744964D+00  0.935142D+00  0.851272D+00
      3  -0.744627D+00 -0.191304D+01 -0.649430D+00  0.851272D+00  0.368326D+00
               196           197           198           199           200 
      1   0.648743D+00 -0.421800D+00 -0.967598D+00  0.413737D+01  0.310464D+01
      2  -0.421800D+00  0.625866D+00  0.121377D+00  0.310464D+01  0.287170D+01
      3  -0.967598D+00  0.121377D+00  0.102754D+01  0.211498D+01  0.122130D+01
               201           202           203           204           205 
      1   0.211498D+01  0.375171D+01  0.381339D+01  0.177101D+01  0.126895D+01
      2   0.122130D+01  0.381339D+01  0.532515D+01  0.259115D+01  0.917981D+00
      3   0.183021D+01  0.177101D+01  0.259115D+01  0.199701D+01  0.156916D+01
               206           207           208           209           210 
      1   0.917981D+00  0.156916D+01  0.129854D+01 -0.729683D+00  0.167598D+01
      2   0.141634D+01  0.127366D+01 -0.729683D+00  0.123107D+01 -0.617382D+00
      3   0.127366D+01  0.136752D+01  0.167598D+01 -0.617382D+00  0.158787D+01
               211           212           213           214           215 
      1  -0.137797D+01  0.126878D+01 -0.117791D+01  0.161857D+01 -0.654444D+00
      2   0.126878D+01 -0.331477D+01  0.253084D+01 -0.654444D+00  0.204383D+01
      3  -0.117791D+01  0.253084D+01 -0.341984D+01  0.163788D+01 -0.220623D+01
               216           217           218           219           220 
      1   0.163788D+01  0.326288D+00  0.357903D+00 -0.126442D+01 -0.220848D-01
      2  -0.220623D+01  0.357903D+00  0.615041D+00 -0.106338D+00  0.416601D+00
      3   0.420352D+01 -0.126442D+01 -0.106338D+00  0.108000D+01  0.483429D-01
               221           222           223           224           225 
      1   0.416601D+00  0.483429D-01 -0.150950D+01 -0.305791D+00  0.138348D+01
      2  -0.139347D+00 -0.795745D+00 -0.305791D+00 -0.126814D+01  0.261375D+00
      3  -0.795745D+00 -0.115158D+01  0.138348D+01  0.261375D+00 -0.890699D+01
               226           227           228           229           230 
      1   0.367296D+01  0.362815D+01 -0.459973D-01  0.346726D+01  0.431810D+01
      2   0.362815D+01  0.395731D+01 -0.268753D+00  0.431810D+01  0.753104D+01
      3  -0.459973D-01 -0.268753D+00  0.960860D+00 -0.172144D+00 -0.106862D+00
               231           232           233           234           235 
      1  -0.172144D+00  0.889980D+00  0.628702D+00  0.882229D+00 -0.703408D+01
      2  -0.106862D+00  0.628702D+00  0.139804D+01  0.777908D+00  0.617703D+00
      3   0.717114D+00  0.882229D+00  0.777908D+00 -0.196329D+00  0.592049D+00
               236           237           238           239           240 
      1   0.617703D+00  0.592049D+00  0.437918D+00 -0.132783D+01  0.230276D+00
      2  -0.211022D+01  0.383054D+00 -0.132783D+01  0.143826D+01  0.224987D+00
      3   0.383054D+00 -0.107878D+01  0.230276D+00  0.224987D+00  0.116585D+00
               241           242           243           244           245 
      1   0.784972D+00 -0.439508D-01 -0.596913D+00 -0.740807D-01 -0.919032D+00
      2  -0.439508D-01  0.679405D+00  0.116087D+00 -0.919032D+00 -0.647967D+00
      3  -0.596913D+00  0.116087D+00 -0.365994D+00  0.129851D+01  0.252511D+00
               246           247           248           249           250 
      1   0.129851D+01 -0.121708D+01 -0.115704D+01  0.366667D+00  0.248002D+01
      2   0.252511D+00 -0.115704D+01 -0.895247D+00  0.124264D+01  0.377721D+00
      3  -0.118019D+01  0.366667D+00  0.124264D+01 -0.142929D+01 -0.182899D+01
               251           252           253           254           255 
      1   0.377721D+00 -0.182899D+01  0.768913D+01 -0.118265D+01 -0.207173D+01
      2   0.146575D+01 -0.132631D+01 -0.118265D+01 -0.300358D+01 -0.979478D+00
      3  -0.132631D+01  0.519594D+01 -0.207173D+01 -0.979478D+00 -0.143392D+01
               256           257           258           259           260 
      1  -0.389341D+01 -0.260747D+01 -0.121912D+01 -0.622214D+01 -0.146757D+01
      2  -0.260747D+01  0.500300D+01 -0.432707D+00 -0.146757D+01 -0.168489D+01
      3  -0.121912D+01 -0.432707D+00 -0.227521D+01 -0.199245D+01 -0.236219D+01
               261           262           263           264           265 
      1  -0.199245D+01 -0.107470D+01  0.131685D+01 -0.532124D+00  0.220387D+01
      2  -0.236219D+01  0.131685D+01 -0.151936D+01  0.385674D+00 -0.303704D+01
      3   0.288937D+01 -0.532124D+00  0.385674D+00 -0.407769D+00  0.745961D+00
               266           267           268           269           270 
      1  -0.303704D+01  0.745961D+00 -0.600071D-01 -0.209390D+00 -0.302158D+00
      2   0.814789D+01 -0.164121D+01 -0.209390D+00  0.339626D+00  0.580466D+00
      3  -0.164121D+01  0.147156D+01 -0.302158D+00  0.580466D+00 -0.665359D+00
               271           272           273           274           275 
      1  -0.807908D-01  0.517858D+00 -0.616962D+00  0.145353D+01  0.342300D+00
      2   0.517858D+00  0.537147D+00  0.190427D+00  0.342300D+00  0.409293D+00
      3  -0.616962D+00  0.190427D+00  0.362965D+00  0.337479D+00 -0.707217D+00
               276           277           278           279           280 
      1   0.337479D+00 -0.178851D+01 -0.171680D+00 -0.720927D+00 -0.147141D+02
      2  -0.707217D+00 -0.171680D+00 -0.112428D+01  0.328970D+00 -0.138687D+01
      3   0.117999D+01 -0.720927D+00  0.328970D+00 -0.613192D+01 -0.979613D-01
               281           282           283           284           285 
      1  -0.138687D+01 -0.979613D-01  0.816039D+00 -0.126494D+01  0.134534D+00
      2  -0.122054D+01 -0.137853D+00 -0.126494D+01 -0.529099D+00  0.137638D+00
      3  -0.137853D+00 -0.101641D+01  0.134534D+00  0.137638D+00  0.385067D+00
               286           287           288           289           290 
      1   0.194149D+01  0.391797D+00 -0.115673D+01 -0.809646D-01 -0.891903D+00
      2   0.391797D+00  0.547970D+00  0.148787D+00 -0.891903D+00  0.166922D+01
      3  -0.115673D+01  0.148787D+00  0.801599D-01  0.248738D+00  0.322408D+00
               291           292           293           294           295 
      1   0.248738D+00 -0.149663D+01 -0.503228D+00 -0.118765D+00  0.928344D+00
      2   0.322408D+00 -0.503228D+00 -0.920724D+01 -0.836902D+00  0.280519D+00
      3   0.432215D+00 -0.118765D+00 -0.836902D+00 -0.100065D+01  0.150071D+00
               296           297 
      1   0.280519D+00  0.150071D+00
      2   0.402323D+00 -0.863200D+00
      3  -0.863200D+00 -0.403626D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.142644D+01  0.955745D+00  0.314289D+01  0.855896D+01  0.163446D+01
      2  -0.125170D+00 -0.210430D+01  0.394404D+01 -0.329933D+01 -0.155444D+01
      3   0.147823D+02 -0.139389D+01 -0.862122D+00  0.123607D+02  0.135078D+01
                 6             7             8             9            10 
      1  -0.233014D+01  0.240670D+01  0.333212D+01 -0.979500D-01 -0.263086D+01
      2   0.860345D+00 -0.429990D+01  0.600752D+00 -0.990685D-01  0.106657D+00
      3  -0.492781D+01 -0.129645D+02 -0.231247D+01 -0.104259D+01 -0.356918D+02
                11            12            13            14            15 
      1  -0.613888D+00  0.152218D+01  0.223854D+01  0.396228D+01 -0.857599D+01
      2   0.835222D+00 -0.225326D+01  0.407194D+01  0.100466D+00 -0.435690D-01
      3  -0.215909D+01  0.110188D+01  0.100178D+02 -0.191103D+01 -0.851895D+00
                16            17            18            19            20 
      1  -0.367246D+01 -0.227031D+01 -0.340366D+01 -0.177745D+01 -0.438001D+00
      2  -0.213967D+02 -0.158623D+01 -0.377658D+01 -0.169561D+01 -0.235293D+01
      3  -0.340456D-01 -0.625550D+00 -0.771255D+00 -0.145379D+02 -0.692404D+00
                21            22            23            24            25 
      1  -0.180792D+01 -0.472338D+01  0.197673D+01  0.531722D+00 -0.926506D+00
      2   0.822074D+01 -0.293689D+01  0.131329D+01 -0.205875D+01 -0.675953D+01
      3   0.279934D+01  0.157660D+02 -0.577618D+00  0.236862D+01 -0.100485D+02
                26            27            28            29            30 
      1   0.349064D+01  0.203927D+01 -0.779535D-01  0.151190D+01 -0.232087D+01
      2  -0.716252D+00  0.110346D+01  0.295742D+01  0.742681D+00 -0.258056D+01
      3   0.338992D+01  0.180503D+01  0.295826D+02 -0.118143D+00 -0.205707D+01
                31            32            33            34            35 
      1  -0.580724D+00  0.370614D+01 -0.881521D+01 -0.510161D+01 -0.161892D+01
      2   0.368313D+01  0.139445D+00  0.278108D+01 -0.231275D+02  0.432149D+01
      3   0.635601D+01  0.510699D+01  0.125459D+01 -0.676439D+01 -0.112550D+01
                36            37            38            39            40 
      1  -0.278269D+01  0.239163D+00  0.112135D+01 -0.147814D+01  0.551315D+01
      2   0.108322D+01 -0.391793D+01 -0.159315D+01  0.406325D+01 -0.369846D+01
      3   0.160724D+01 -0.111799D+02 -0.807379D+00  0.307967D+01  0.787731D+01
                41            42            43            44            45 
      1  -0.208652D+01 -0.331921D+01  0.370269D+01  0.181914D+01 -0.159890D+01
      2  -0.211029D+01  0.645414D+00 -0.234995D+01  0.279134D+00 -0.153536D+01
      3   0.164194D+01 -0.265044D+01  0.177550D+02 -0.131253D+01 -0.402502D+01
                46            47            48            49            50 
      1   0.138097D+01 -0.194596D+01  0.988584D+00 -0.721925D+01 -0.222998D+01
      2   0.316139D+01 -0.258466D+01  0.963512D+01 -0.173055D+01  0.223529D+01
      3   0.180433D+02 -0.193294D+01  0.267555D+01  0.691040D+01 -0.183949D+01
                51            52            53            54            55 
      1  -0.246074D+01 -0.117559D+01  0.197605D+01 -0.285996D+00  0.126861D+01
      2  -0.317746D+01 -0.432873D+01 -0.113951D+01  0.234652D+01 -0.643519D+01
      3   0.269841D+01  0.140184D+02  0.445469D+00  0.239042D+01  0.236331D+02
                56            57            58            59            60 
      1   0.147843D+01 -0.355766D+00  0.353896D+01 -0.294291D+01  0.237135D+01
      2  -0.637652D+00 -0.326071D+01 -0.388613D+01 -0.117587D+02  0.870259D+01
      3   0.127200D+02  0.765627D-01  0.407020D+02  0.105784D+02  0.814656D+01
                61            62            63            64            65 
      1  -0.899149D+00  0.813168D+01  0.397138D+01 -0.163858D+01  0.673372D-02
      2  -0.203839D+02  0.992804D+01  0.150262D+02  0.110556D+02 -0.150578D-02
      3   0.348389D+01  0.101791D+02 -0.557251D+01 -0.280483D+02 -0.165925D+02
                66            67            68            69            70 
      1  -0.830838D+00 -0.266772D+01 -0.223318D+01 -0.266727D+01  0.269697D+01
      2   0.670125D+01  0.399423D+01  0.145759D+02 -0.119739D+02 -0.158550D+01
      3   0.143416D+01 -0.261262D+02 -0.953840D+01 -0.127069D+02 -0.483478D+01
                71            72            73            74            75 
      1   0.568318D+01  0.197079D+01 -0.221052D+01 -0.638765D+01  0.709736D+00
      2  -0.107602D+02 -0.165535D+02 -0.176615D+02  0.530706D+01  0.286992D+01
      3  -0.138383D+02  0.878212D+01  0.176208D+02  0.910751D+01 -0.225209D+01
                76            77            78            79            80 
      1  -0.909898D+01  0.984825D+00 -0.141386D+02  0.863464D+00 -0.674659D+01
      2   0.676425D+01 -0.948625D+01  0.114688D+02  0.236703D+01  0.103613D+02
      3   0.174120D+02  0.266184D+01  0.158229D+02 -0.286228D+01  0.123560D+02
                81            82            83            84            85 
      1   0.337099D+01  0.573399D+01  0.427263D+01  0.163723D+01  0.560158D+01
      2   0.113094D+02  0.102505D+01 -0.395576D+01 -0.232657D+01 -0.680893D+01
      3  -0.103797D+02  0.244120D+02  0.394464D+01 -0.206380D+01  0.800644D+01
                86            87            88            89            90 
      1   0.901769D+01 -0.530361D+01  0.314521D+01  0.261921D+01 -0.157145D+02
      2  -0.133542D+02  0.111205D+02 -0.628959D+01  0.785479D+01  0.197189D+02
      3   0.252741D+01  0.947368D+01  0.708539D+00  0.109613D+02 -0.833894D+01
                91            92            93            94            95 
      1   0.166479D+01 -0.969074D+00  0.140496D+01  0.420277D+00 -0.137476D+01
      2  -0.973752D+01  0.186098D+00 -0.148263D+01 -0.545165D+00 -0.398645D+01
      3  -0.257974D+01 -0.632163D+00 -0.867485D+00  0.319517D+02 -0.152860D+02
                96            97            98            99           100 
      1  -0.238967D+01  0.141223D+01  0.521311D+01 -0.400890D+00  0.154918D+01
      2  -0.932463D+01 -0.165867D+02 -0.947422D+01  0.113180D+02  0.504269D+01
      3  -0.135295D+01  0.165746D+01 -0.929941D+00  0.624084D+01  0.126419D+02
               101           102           103           104           105 
      1   0.153725D+01 -0.311322D+01  0.118283D+01 -0.195325D+01  0.133665D+01
      2  -0.346017D+01  0.739524D+01 -0.101582D+01  0.519782D+01  0.158940D+02
      3  -0.149351D+02  0.143180D+01 -0.738612D+01 -0.454317D+00 -0.404058D+01
               106           107           108           109           110 
      1  -0.350993D+01 -0.900760D+00  0.477647D+01 -0.353291D+01 -0.207354D+01
      2  -0.531518D+00  0.120148D+02  0.897084D+01 -0.810366D+01  0.223857D+01
      3   0.836070D+01 -0.968663D+01 -0.866343D+01 -0.661677D-01 -0.414722D+00
               111           112           113           114           115 
      1   0.181518D+01 -0.188495D+01  0.388746D+01 -0.617800D+01  0.735430D+00
      2   0.416657D+01 -0.197632D+01 -0.104063D+02 -0.133810D+02  0.762604D+00
      3  -0.791931D-01 -0.296103D+01  0.191149D+02  0.118884D+02 -0.101747D+02
               116           117           118           119           120 
      1   0.646875D+01 -0.104541D+02  0.334916D+01 -0.582866D+00  0.524452D+00
      2  -0.117683D+02 -0.301340D+02  0.482079D+01 -0.991495D-02  0.186327D+01
      3   0.162428D+02  0.116838D+02 -0.282248D+01  0.375542D+01 -0.280389D+01
               121           122           123           124           125 
      1  -0.111340D+01  0.490972D+01 -0.206173D+01 -0.124347D+01  0.640124D+01
      2   0.104838D+01  0.301491D+01 -0.951884D+00 -0.130008D+01 -0.358348D+01
      3   0.746864D+01 -0.163874D+02 -0.180717D+01  0.271463D+01 -0.639040D+01
               126           127           128           129           130 
      1   0.728747D+01  0.349350D+01  0.161122D+01  0.292348D+01 -0.131722D+01
      2   0.141795D+02 -0.524445D+01 -0.116585D+00 -0.619027D+00  0.823778D+00
      3   0.466479D+01 -0.614754D+01 -0.113858D+01 -0.288323D+01  0.312788D+01
               131           132           133           134           135 
      1   0.499018D+00 -0.348244D+01  0.310530D+01  0.130645D+01  0.507163D+01
      2   0.791115D-01 -0.128130D+01 -0.260595D+01 -0.538130D+00  0.205389D+01
      3   0.420417D+00  0.816477D+00 -0.317755D+01 -0.149981D+01 -0.186577D+01
               136           137           138           139           140 
      1   0.209882D+01 -0.963804D+00 -0.246753D+01  0.979068D+00  0.145363D+00
      2   0.436550D+01  0.500057D+00 -0.143309D+01  0.434114D+00 -0.218729D-02
      3   0.308228D+01  0.856032D-01 -0.229572D+01  0.166959D+01 -0.216296D+00
               141           142           143           144           145 
      1  -0.355742D+01 -0.193759D+01  0.207205D+01  0.625203D+01 -0.254203D+01
      2   0.557685D+00 -0.450796D+01 -0.510717D+00 -0.391781D+00 -0.961020D+01
      3  -0.754756D+00 -0.263758D+01  0.691517D+00  0.227393D+01  0.585296D+00
               146           147           148           149           150 
      1   0.327743D+01 -0.897042D+00  0.150608D+01 -0.150085D+01 -0.435394D+00
      2   0.168097D+01 -0.170147D+01  0.185827D+01 -0.847486D+00  0.375426D+00
      3  -0.154933D+01  0.765459D+00  0.748233D+00  0.104837D+01 -0.146440D+00
               151           152           153           154           155 
      1  -0.195068D+01  0.403252D+01 -0.322853D+01 -0.283912D+01 -0.239430D+01
      2  -0.415369D+01  0.423307D+00  0.201530D+00  0.521841D+01  0.154602D+01
      3   0.885569D+00 -0.234586D+01  0.168956D+01 -0.932729D+00 -0.101837D+01
               156           157           158           159           160 
      1   0.129961D+01 -0.836569D+00 -0.148611D+01 -0.623126D-01  0.330156D+01
      2  -0.155391D+01  0.690716D+00  0.205637D+00  0.331098D+00 -0.481684D+01
      3   0.978378D+00  0.903801D+00 -0.344613D+00  0.224512D+00  0.131241D+01
               161           162           163           164           165 
      1   0.532814D+01 -0.555124D+01 -0.135270D+01 -0.347413D+00  0.139533D+01
      2  -0.622242D+00 -0.191425D+01 -0.623935D+01  0.824885D+00  0.522662D+01
      3   0.222326D+01 -0.188670D+01 -0.949294D+00 -0.388849D+01  0.740059D+00
               166           167           168           169           170 
      1  -0.112080D-01 -0.752199D-01 -0.214870D+01  0.274501D+01  0.671746D+00
      2   0.184404D+01 -0.368913D+01 -0.499800D+01  0.500290D+01 -0.890742D+01
      3  -0.489952D+01  0.249331D+01  0.328308D+01  0.324931D+01  0.556744D+01
               171           172           173           174           175 
      1  -0.709195D+01  0.188658D+01 -0.132999D+01  0.167720D+01 -0.243483D+01
      2  -0.219342D+02  0.666636D+01 -0.242333D+01  0.465843D+01 -0.296377D+01
      3   0.428197D+01  0.251618D+01 -0.666172D+01  0.651879D-01 -0.545447D+01
               176           177           178           179           180 
      1   0.389338D+01 -0.457523D+01  0.191545D+01 -0.228796D+01  0.309459D+01
      2   0.768996D+01 -0.554389D+01  0.433238D+01 -0.699959D+01  0.473805D+01
      3   0.149740D+02 -0.421668D+01 -0.272011D+01 -0.856473D+01  0.407879D+01
               181           182           183           184           185 
      1   0.346513D+00 -0.460940D+00 -0.253854D+00  0.520031D-01  0.463426D+00
      2  -0.366148D+01  0.462181D+00  0.866363D+01 -0.152635D+00 -0.313074D+01
      3   0.641857D+01 -0.801741D+01 -0.784482D+00 -0.246273D+01  0.505255D+01
               186           187           188           189           190 
      1  -0.100647D+01 -0.560775D+00  0.980580D+00 -0.114729D+00 -0.171424D+01
      2   0.599429D-01  0.646622D+01  0.544304D+00 -0.644939D+00  0.204605D+02
      3   0.329719D+01  0.182590D+00  0.385580D+01 -0.632870D+00 -0.100965D+02
               191           192           193           194           195 
      1  -0.244278D+01  0.131736D+01 -0.159753D+01  0.307038D+00  0.282127D-01
      2  -0.322564D+01 -0.749382D+01 -0.248983D+01  0.534696D+01  0.220579D+01
      3   0.329977D+01  0.371540D+01  0.483270D+01 -0.353601D+01 -0.361684D+01
               196           197           198           199           200 
      1   0.932550D+00  0.195713D+01 -0.517651D+00  0.353777D+01  0.501505D+01
      2  -0.828621D+01  0.118169D+01  0.523043D+01  0.203961D+01 -0.863200D-01
      3   0.243247D+01 -0.219279D+01 -0.162139D+01 -0.904656D+01 -0.109116D+02
               201           202           203           204           205 
      1  -0.560120D+00  0.561464D+01  0.778744D+01  0.388793D+00  0.867971D+00
      2   0.586933D+01 -0.188792D+00  0.465264D+01  0.658571D+01  0.271566D+01
      3  -0.331707D+01 -0.103701D+02 -0.197053D+02 -0.921971D+01 -0.189360D+01
               206           207           208           209           210 
      1   0.283345D+01  0.664200D+00 -0.261611D+01  0.303932D+01 -0.190480D+01
      2   0.317608D+01  0.333996D+01  0.561304D+01 -0.106318D+01  0.467465D+01
      3  -0.541474D+01 -0.398446D+01  0.285371D+01 -0.583179D+01  0.310023D+01
               211           212           213           214           215 
      1   0.271926D+01 -0.973921D+01  0.552348D+01 -0.217767D+01  0.787107D+01
      2  -0.902394D+00  0.869569D+01 -0.129213D+02  0.159614D+01 -0.820595D+01
      3  -0.325725D+01  0.143962D+02 -0.993151D+01  0.248749D+01 -0.855945D+01
               216           217           218           219           220 
      1  -0.629312D+01  0.182220D+01 -0.671199D+00 -0.154516D+01 -0.359699D+00
      2   0.145211D+02 -0.509450D+01 -0.361835D+00  0.299683D+01 -0.648025D+00
      3   0.904616D+01 -0.204754D+01 -0.261411D+01 -0.124523D+01 -0.557068D+00
               221           222           223           224           225 
      1   0.206279D+01  0.232658D+01 -0.152345D+01  0.483829D+01  0.161743D+02
      2  -0.247711D+01 -0.460132D+01 -0.308557D+00  0.176407D+00 -0.313253D+02
      3   0.155524D+01  0.249292D+01 -0.117629D+01  0.448513D+01 -0.754858D+00
               226           227           228           229           230 
      1  -0.428277D+01 -0.438564D+01 -0.296283D+01 -0.543157D+01 -0.870806D+01
      2   0.363907D+01  0.262444D+01  0.526501D+01  0.345548D+01  0.405274D+01
      3  -0.715389D+01 -0.104148D+02  0.132209D+01 -0.700071D+01 -0.220741D+02
               231           232           233           234           235 
      1  -0.380396D+01 -0.226652D+01 -0.190287D+01 -0.752145D+00 -0.624959D+00
      2   0.355529D+01  0.358593D+01  0.316924D+01  0.142526D+00 -0.860588D+01
      3   0.272225D+00 -0.583030D+00 -0.475405D+01 -0.156496D+01 -0.214587D+02
               236           237           238           239           240 
      1   0.179410D+01  0.251106D+01  0.149718D+01 -0.153433D+01 -0.110198D+01
      2   0.197457D+01 -0.118747D+01  0.155532D+01 -0.116557D+01 -0.323349D+00
      3   0.676607D+01 -0.739257D-01  0.736811D+01 -0.713165D+01 -0.693153D+00
               241           242           243           244           245 
      1   0.205158D+01  0.502986D+00  0.160027D+00  0.148289D+00 -0.345949D+00
      2  -0.347091D+01 -0.242738D+00 -0.190642D+01 -0.495707D+01 -0.436488D+00
      3   0.122384D+01 -0.256253D+01 -0.172904D+01 -0.294962D+01 -0.200545D+01
               246           247           248           249           250 
      1  -0.679880D+00 -0.121938D+00  0.212505D+00 -0.152363D+01 -0.769616D+00
      2   0.377048D+01  0.622568D-01 -0.331501D+01  0.493943D+01  0.110378D+01
      3  -0.678916D-01 -0.990003D+00 -0.205080D+01  0.330775D+01 -0.956060D+00
               251           252           253           254           255 
      1   0.207802D+01  0.292198D+01 -0.192527D+01  0.717339D+00 -0.235474D+01
      2   0.424929D+01 -0.161044D+02  0.179676D+02  0.427506D+01  0.809421D+01
      3   0.420618D+01 -0.300098D+01 -0.157517D+02 -0.114408D+02 -0.368305D+00
               256           257           258           259           260 
      1  -0.122989D+01 -0.593602D+01 -0.579218D+01 -0.941313D+00 -0.529154D+00
      2   0.377151D+01  0.239795D+00  0.830160D+01  0.469788D+01  0.894485D+01
      3  -0.238611D+01  0.234896D+02  0.908604D+00  0.161834D+01 -0.218896D+01
               261           262           263           264           265 
      1   0.790744D+01 -0.455355D-01  0.678527D+00  0.575848D+00  0.110546D+01
      2  -0.158127D+02  0.104803D+01 -0.595664D+00  0.130018D+01 -0.102016D+01
      3  -0.650843D+01  0.283403D+01 -0.356348D+01  0.140719D+01 -0.562700D+01
               266           267           268           269           270 
      1  -0.399211D+01 -0.248064D+01 -0.192395D+00  0.512585D-01 -0.212504D+00
      2   0.399829D+01 -0.480813D+01  0.333631D+00 -0.151844D+01  0.175910D+01
      3   0.252812D+02 -0.490394D+01 -0.492275D+00  0.124772D+01  0.172418D+01
               271           272           273           274           275 
      1  -0.218857D+01 -0.788892D+00  0.442233D+00 -0.219516D+00 -0.297358D+01
      2   0.565237D+01  0.436304D+00 -0.231704D+01  0.161505D+01  0.366956D+01
      3   0.249589D+01  0.971859D+00  0.104897D+01  0.836416D+00  0.144271D+01
               276           277           278           279           280 
      1   0.196810D+01 -0.196663D+00  0.418796D+01 -0.102764D+02  0.831500D+00
      2  -0.510337D+01 -0.247196D+01 -0.234169D+01  0.245091D+02 -0.932382D+01
      3  -0.301609D+01  0.123751D+01 -0.405853D+01  0.286179D+01  0.152435D+02
               281           282           283           284           285 
      1   0.720610D+00 -0.171405D+01  0.102115D+01  0.565151D+00  0.569015D-01
      2  -0.134717D+00  0.737629D+01 -0.581237D+00 -0.132150D+01 -0.147697D+01
      3  -0.601099D+01 -0.759495D+00 -0.475460D+01 -0.239817D+00  0.477154D+00
               286           287           288           289           290 
      1  -0.193987D+01  0.875424D+00 -0.111366D+00  0.122210D+01 -0.595728D+00
      2   0.448031D+01 -0.885497D+00 -0.652423D+00 -0.833064D+00 -0.172985D+01
      3  -0.118416D+01  0.172606D+01  0.232899D+01 -0.487805D+01  0.631967D+01
               291           292           293           294           295 
      1   0.135944D+01 -0.294532D+00  0.599020D+01 -0.348478D+01  0.696151D+00
      2  -0.138198D+01 -0.828007D+00  0.339791D+01  0.358412D+01 -0.163882D+01
      3   0.281627D+00  0.367323D+01 -0.322533D+02 -0.229460D+01 -0.824266D+00
               296           297 
      1  -0.690826D+00 -0.167657D-01
      2   0.298555D+01  0.163163D+01
      3   0.784969D+00 -0.311667D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.831266D+01  0.102907D+02 -0.227151D+02 -0.165023D+01 -0.129300D+02
      2   0.229248D+01 -0.745569D+01  0.738646D+01 -0.739453D+01  0.212998D+02
      3   0.602018D+01 -0.283503D+01  0.153286D+02  0.904476D+01 -0.836974D+01
      4   0.110580D+02 -0.557096D+00  0.561657D+01  0.838623D+01 -0.669325D+01
      5  -0.142910D+02  0.500256D+01 -0.452141D+00  0.827665D+01  0.325395D+01
      6   0.411536D+01  0.421214D+01 -0.461708D+01 -0.267355D+00 -0.579519D+01
                 6             7             8             9            10 
      1   0.518042D+01  0.338078D+02 -0.309305D+01  0.116005D+02  0.465800D+02
      2  -0.116249D+02 -0.904551D+01 -0.114382D+01 -0.577658D+01 -0.217310D+02
      3   0.644449D+01 -0.247623D+02  0.423687D+01 -0.582397D+01 -0.248490D+02
      4   0.247246D+01 -0.391311D+01  0.108857D+01  0.695006D+01 -0.810043D+01
      5   0.691253D+01  0.672832D+01  0.683314D+01 -0.614191D+01 -0.692029D+01
      6   0.445156D+01  0.104529D+02 -0.314612D+01  0.734150D+01  0.213052D+01
                11            12            13            14            15 
      1   0.861992D+01 -0.190222D+01  0.146318D+02 -0.223771D+01  0.566870D+01
      2  -0.777015D+01  0.319160D+01 -0.135610D+02  0.772740D+01 -0.406818D+00
      3  -0.849765D+00 -0.128938D+01 -0.107080D+01 -0.548969D+01 -0.526188D+01
      4   0.270596D+01 -0.284354D+01  0.163368D+02 -0.597706D+01 -0.111865D+01
      5  -0.348946D+01  0.898158D+01  0.121640D+02  0.126058D+00 -0.324422D+01
      6   0.654325D+00 -0.655467D+01 -0.418848D+01  0.395886D+01  0.806301D+01
                16            17            18            19            20 
      1  -0.945018D+01  0.598881D+01 -0.206259D+02  0.889458D+01 -0.126784D+02
      2  -0.132592D+01  0.385850D+01  0.348118D+01  0.765429D+00  0.110389D+02
      3   0.107761D+02 -0.984731D+01  0.171447D+02 -0.966001D+01  0.163953D+01
      4   0.136621D+02 -0.535482D+00 -0.316066D+01 -0.987853D+01  0.102951D+00
      5  -0.163124D+02 -0.386119D+01 -0.204882D+01  0.150743D+02  0.179314D+01
      6  -0.506034D+01  0.232485D+01 -0.443168D+01 -0.115723D+01 -0.515845D+01
                21            22            23            24            25 
      1   0.212974D+02  0.374337D+01 -0.108793D+02 -0.622481D+01 -0.153687D+02
      2  -0.113214D+02  0.461313D+01  0.167652D+02 -0.935795D+01  0.929960D+00
      3  -0.997597D+01 -0.835649D+01 -0.588598D+01  0.155828D+02  0.144388D+02
      4   0.249723D+01  0.130198D+02  0.628674D+01 -0.240092D+01 -0.375355D+01
      5  -0.109620D+02 -0.146036D+01 -0.142471D+01 -0.136253D+01  0.954030D+01
      6   0.600036D+01 -0.705386D+00 -0.611874D+01  0.502983D+01 -0.966583D+01
                26            27            28            29            30 
      1  -0.466454D+01  0.990454D+01  0.121738D+02 -0.238231D+01  0.216720D+01
      2  -0.288569D+01 -0.882877D+00 -0.237361D+01  0.575218D+01  0.133449D+00
      3   0.755024D+01 -0.902166D+01 -0.980017D+01 -0.336987D+01 -0.230065D+01
      4  -0.133348D+01 -0.604054D+01  0.186568D+02  0.179310D+01 -0.185066D+01
      5  -0.575421D+01  0.747882D+01  0.364917D+01 -0.147439D+01  0.729940D+01
      6   0.850291D+00  0.833256D+01  0.270046D+01 -0.579610D+00  0.482077D+01
                31            32            33            34            35 
      1  -0.300983D+01 -0.190986D+01  0.752424D+01 -0.829715D+01  0.917750D+01
      2   0.800137D+01  0.500131D+01 -0.208402D+01  0.165574D+01  0.209263D+01
      3  -0.499154D+01 -0.309145D+01 -0.544022D+01  0.664141D+01 -0.112701D+02
      4   0.131620D+02  0.847610D+00  0.145829D+01  0.106814D+02  0.457092D+01
      5   0.125176D+02  0.299103D+00  0.124376D+01 -0.189988D+02  0.354804D+01
      6  -0.104555D+01  0.351353D+01  0.603157D+01 -0.950050D+00  0.135305D+01
                36            37            38            39            40 
      1  -0.195704D+02 -0.310609D+01  0.456281D+01 -0.240274D+02 -0.843450D+01
      2   0.374614D+01 -0.109544D+01 -0.173146D+01  0.692305D+01 -0.181293D+01
      3   0.158242D+02  0.420153D+01 -0.283135D+01  0.171044D+02  0.102474D+02
      4   0.238940D+01  0.444935D+01 -0.118410D+01  0.283330D+01  0.452856D+01
      5   0.153044D+01 -0.182467D+02  0.263556D+01 -0.174007D+01  0.121242D+01
      6  -0.688736D+01  0.287689D+01  0.492632D+01  0.453694D+01  0.315925D+01
                41            42            43            44            45 
      1  -0.533275D+01 -0.593859D+01  0.204163D+02 -0.871303D+01  0.772471D+01
      2   0.630322D+01  0.413279D+00  0.575000D+00  0.203551D+01 -0.145288D+01
      3  -0.970467D+00  0.552531D+01 -0.209913D+02  0.667752D+01 -0.627183D+01
      4  -0.217588D+00  0.336915D+01  0.308985D+01  0.379485D+01  0.594873D+01
      5   0.147782D+01  0.774598D+01  0.113142D+02  0.526837D+01 -0.631301D+01
      6   0.287935D+01  0.784689D+01  0.105210D+02  0.196709D+01  0.107996D+02
                46            47            48            49            50 
      1   0.219415D+01 -0.788114D+01  0.208015D+02  0.119858D+02 -0.164784D+01
      2   0.580545D+01  0.353616D+01 -0.769299D+01 -0.297427D+01  0.285047D+01
      3  -0.799960D+01  0.434498D+01 -0.131085D+02 -0.901151D+01 -0.120262D+01
      4  -0.244896D+01  0.319805D+01 -0.149965D+01  0.878386D+01  0.466523D+01
      5   0.202471D+02 -0.139189D+00 -0.807593D+01 -0.854489D+01 -0.383406D+01
      6   0.131411D+00 -0.377218D+01  0.140459D+01 -0.243713D+01  0.411742D+01
                51            52            53            54            55 
      1  -0.174720D+02 -0.199634D+02 -0.978171D+01  0.629222D+01 -0.258860D+02
      2   0.240068D+01  0.248102D+01  0.302564D+01  0.426058D+01  0.120470D+02
      3   0.150713D+02  0.174824D+02  0.675607D+01 -0.105528D+02  0.138390D+02
      4  -0.436149D+01  0.329563D+01 -0.235937D+01 -0.481757D+01 -0.854711D+01
      5  -0.324320D+01  0.941491D+01 -0.402902D+01  0.595091D+01 -0.577488D+01
      6   0.126367D+02 -0.603426D+01  0.528878D+01  0.131044D+02  0.139271D+01
                56            57            58            59            60 
      1  -0.120365D+02 -0.566992D+01 -0.328389D+02 -0.261621D+02  0.776138D+00
      2   0.876205D+01  0.388611D+00  0.236356D+02  0.684822D+01  0.613077D+01
      3   0.327449D+01  0.528131D+01  0.920334D+01  0.193138D+02 -0.690691D+01
      4  -0.279204D+02  0.336999D+00 -0.481518D+02  0.100958D+02 -0.149189D+02
      5  -0.150141D+00 -0.126216D+02 -0.174009D+01 -0.147390D+02  0.156980D+02
      6   0.431550D+00  0.233996D+01  0.588208D+00  0.421170D+01 -0.545254D+01
                61            62            63            64            65 
      1  -0.137061D+02  0.627108D+00 -0.377260D+01 -0.896941D+02  0.300347D+02
      2  -0.126676D+01  0.761228D+01  0.615085D+01  0.484592D+02 -0.137779D+02
      3   0.149728D+02 -0.823939D+01 -0.237826D+01  0.412349D+02 -0.162568D+02
      4  -0.869445D+00 -0.186709D+02  0.261578D+02  0.284975D+02  0.234964D+02
      5  -0.246597D+02  0.226589D+02  0.337401D+02  0.229697D+02 -0.200409D+01
      6   0.106095D+02 -0.631944D+01 -0.109288D+02  0.835535D+00 -0.241577D+01
                66            67            68            69            70 
      1   0.226130D+02  0.626700D+02  0.253074D+02 -0.696107D+01  0.329660D+02
      2  -0.126616D+02 -0.292397D+02 -0.122209D+02  0.742191D+01 -0.137231D+02
      3  -0.995133D+01 -0.334303D+02 -0.130865D+02 -0.460845D+00 -0.192428D+02
      4  -0.100391D+01  0.319202D+02  0.111893D+02  0.220598D+02  0.248270D+01
      5   0.638888D+01 -0.115053D+01  0.235814D+02 -0.214297D+02  0.696556D+00
      6   0.149202D+01  0.113306D+01  0.565950D+01 -0.463522D+01 -0.272721D+01
                71            72            73            74            75 
      1  -0.394239D+01  0.397891D+01  0.368377D+02 -0.225493D+02 -0.184874D+02
      2   0.731810D+01 -0.193176D+01 -0.195033D+02  0.479227D+01  0.105963D+02
      3  -0.337572D+01 -0.204715D+01 -0.173343D+02  0.177571D+02  0.789116D+01
      4   0.212835D+02 -0.178496D+02 -0.211929D+02 -0.315845D+02 -0.567708D+01
      5  -0.185762D+02 -0.306424D+02 -0.108688D+02 -0.814801D+01 -0.181133D+02
      6  -0.545674D+01 -0.467885D+01 -0.146776D+02 -0.936006D+01 -0.866642D+00
                76            77            78            79            80 
      1  -0.307330D+02 -0.265556D+02 -0.122118D+01 -0.226402D+02  0.109087D+01
      2   0.670415D+01  0.170759D+02 -0.121253D+02  0.116601D+02 -0.121132D+02
      3   0.240289D+02  0.947975D+01  0.133465D+02  0.109801D+02  0.110223D+02
      4  -0.407725D+02 -0.144435D+02 -0.348251D+02 -0.186240D+01 -0.259210D+02
      5  -0.875407D+01 -0.416980D+02  0.217219D+02 -0.109465D+02  0.206909D+02
      6  -0.143296D+02 -0.647330D+01 -0.100973D+02  0.178625D+01 -0.802368D+01
                81            82            83            84            85 
      1  -0.106839D+02  0.373975D+02 -0.207645D+02 -0.109930D+02 -0.298389D+02
      2   0.164908D+01 -0.354700D+02 -0.636586D+00  0.496564D+01  0.139380D+01
      3   0.903483D+01 -0.192746D+01  0.214011D+02  0.602734D+01  0.284450D+02
      4   0.179341D+02 -0.172216D+02 -0.379283D+02 -0.277007D+00 -0.390219D+02
      5   0.121944D+02 -0.138805D+02  0.592864D+01 -0.560769D+01  0.354279D+01
      6   0.132761D+02  0.148318D+01  0.438703D+01 -0.302561D+01  0.300188D+01
                86            87            88            89            90 
      1  -0.257503D+02  0.822078D+01 -0.121134D+02  0.340975D+01 -0.369578D+00
      2  -0.786026D+00 -0.535181D+01  0.709449D+00 -0.688608D+01  0.237113D+02
      3   0.265363D+02 -0.286897D+01  0.114039D+02  0.347633D+01 -0.233417D+02
      4  -0.317978D+02 -0.144059D+02 -0.940646D+01 -0.213418D+02  0.119019D+02
      5  -0.122713D+02  0.211060D+02 -0.433980D+01  0.151677D+02  0.461503D+02
      6  -0.568194D+01  0.105932D+02 -0.138816D+01  0.101358D+02  0.977245D+01
                91            92            93            94            95 
      1   0.803551D+01 -0.522338D+01 -0.709094D+01 -0.622542D+01 -0.157899D+02
      2  -0.569709D+01  0.111430D-01  0.162559D+01  0.551162D+01  0.842135D+01
      3  -0.233842D+01  0.521224D+01  0.546535D+01  0.713806D+00  0.736854D+01
      4  -0.164372D+02 -0.142434D+02 -0.455587D+01 -0.339060D+02  0.148738D+02
      5  -0.163996D+02 -0.285944D+01 -0.103365D+02 -0.993861D+01 -0.513627D+01
      6  -0.468820D-03 -0.485414D+01 -0.603889D+01 -0.146814D+01  0.166681D+01
                96            97            98            99           100 
      1  -0.689107D+01 -0.166724D+02 -0.766134D+01 -0.479019D+01  0.673793D+01
      2   0.258073D+01  0.301366D+01 -0.385552D+00  0.606285D+01 -0.246431D+01
      3   0.431034D+01  0.136587D+02  0.804689D+01 -0.127267D+01 -0.427363D+01
      4  -0.511547D+01 -0.172624D+02 -0.613690D+01 -0.211684D+02  0.792642D+01
      5  -0.180733D+02 -0.194715D+02 -0.197994D+02  0.219843D+02  0.107965D+02
      6  -0.302998D+01 -0.885646D+01 -0.496144D+01  0.775282D+01 -0.537400D+01
               101           102           103           104           105 
      1   0.185449D+01  0.438627D+01  0.132856D+02  0.609692D+01  0.197758D+01
      2   0.290295D-01 -0.300814D+01 -0.112451D+02 -0.233799D+01  0.345409D+01
      3  -0.188352D+01 -0.137813D+01 -0.204050D+01 -0.375893D+01 -0.543167D+01
      4   0.996763D+00 -0.351821D+01 -0.289061D+01 -0.670784D+01  0.952237D+01
      5  -0.458677D+01 -0.303934D+01 -0.107242D+02  0.115025D+02  0.308687D+02
      6   0.318471D+01  0.660446D+01  0.516434D+01 -0.102894D+02 -0.185789D+02
               106           107           108           109           110 
      1   0.141127D+02  0.810921D+00  0.139018D+01  0.181160D+02 -0.135240D+02
      2  -0.207097D+01 -0.724043D+01  0.201692D+01 -0.107087D+02  0.604120D+01
      3  -0.120417D+02  0.642951D+01 -0.340710D+01 -0.740728D+01  0.748281D+01
      4  -0.976700D+01  0.203463D+02  0.221599D+02 -0.186665D+02  0.172284D+02
      5  -0.188111D+02  0.228023D+02  0.181984D+02 -0.270040D+02  0.900300D+01
      6   0.118021D+02 -0.213108D+02 -0.136590D+02  0.111452D+02 -0.266809D+01
               111           112           113           114           115 
      1  -0.208169D+02 -0.129044D+02 -0.822430D+01 -0.684440D+01 -0.243517D+02
      2   0.131903D+02  0.324580D+01  0.173983D+02  0.496441D+01  0.148814D+02
      3   0.762654D+01  0.965858D+01 -0.917401D+01  0.187999D+01  0.947032D+01
      4   0.118923D+02  0.271522D+02 -0.340245D+02 -0.236195D+02  0.222723D+02
      5   0.204414D+02  0.169407D+02 -0.257620D+02 -0.276990D+02  0.343926D+02
      6  -0.485084D+01 -0.780340D+01  0.240438D+02  0.265253D+02 -0.131583D+02
               116           117           118           119           120 
      1  -0.600612D+01 -0.690447D+01  0.775024D+01 -0.395054D+01  0.114788D+02
      2   0.668553D+01 -0.139233D+02 -0.653219D+01  0.736465D+01 -0.759843D+01
      3  -0.679412D+00  0.208278D+02 -0.121805D+01 -0.341412D+01 -0.388037D+01
      4  -0.300018D+02 -0.247061D+02  0.218963D+00 -0.508988D+01 -0.345732D+01
      5  -0.276123D+02 -0.646126D+02  0.103868D+02  0.747283D+00  0.753568D+01
      6   0.269752D+02  0.364339D+02 -0.397832D+01 -0.142812D+01 -0.139444D+01
               121           122           123           124           125 
      1   0.486079D+00 -0.328585D+01  0.327095D+01  0.152139D+02  0.181105D+01
      2   0.781849D+01 -0.141833D+02 -0.113784D+01 -0.832668D+01 -0.306643D+01
      3  -0.830457D+01  0.174692D+02 -0.213311D+01 -0.688724D+01  0.125537D+01
      4  -0.131430D+02  0.395054D+02  0.126759D+01 -0.909968D+01  0.119016D+02
      5   0.648513D+00  0.101226D+01 -0.188413D+01  0.159965D+02 -0.970358D+01
      6  -0.337572D+01  0.240572D+01  0.726636D+01 -0.401922D+01  0.131971D+02
               126           127           128           129           130 
      1  -0.211418D+01  0.348122D+01  0.273461D+01 -0.824782D+00  0.683223D+00
      2  -0.675161D+01 -0.303270D+01 -0.311744D+01 -0.207196D+01  0.677554D-01
      3   0.886578D+01 -0.448526D+00  0.382830D+00  0.289675D+01 -0.750978D+00
      4  -0.918999D+01 -0.938551D+01  0.755973D+01 -0.753489D+01  0.573555D+01
      5   0.284003D+02  0.158291D+02 -0.499179D+01  0.138103D+02 -0.667757D+01
      6  -0.163411D+02 -0.808670D+01  0.575139D+01 -0.810858D+01  0.560340D+01
               131           132           133           134           135 
      1  -0.351569D+01  0.526346D+01 -0.375019D+01  0.811117D+01 -0.142505D+02
      2   0.197888D+01 -0.773639D+00 -0.210430D+01 -0.447014D+01 -0.221744D+01
      3   0.153681D+01 -0.448982D+01  0.585448D+01 -0.364103D+01  0.164680D+02
      4  -0.559596D+01  0.588152D+01 -0.812294D+01  0.742328D+01 -0.103495D+02
      5   0.541397D+01 -0.791192D+01  0.151710D+02 -0.738012D+01  0.204241D+02
      6  -0.654649D+01  0.876017D+01 -0.102362D+02  0.118817D+02 -0.187589D+02
               136           137           138           139           140 
      1  -0.299703D+01 -0.181490D+01  0.529870D+01 -0.244109D+01 -0.480216D+01
      2  -0.251389D+01  0.599796D+00  0.259832D+01 -0.329512D+00  0.109839D+01
      3   0.551092D+01  0.121511D+01 -0.789701D+01  0.277060D+01  0.370377D+01
      4   0.536550D+01  0.352965D+01 -0.534943D+01  0.233439D+01  0.187508D+01
      5  -0.863488D+01 -0.330007D+01  0.110504D+02 -0.303534D+01 -0.269374D+01
      6  -0.598833D+01 -0.356665D+01  0.616827D+01 -0.312856D+01 -0.571517D+01
               141           142           143           144           145 
      1   0.823806D+01  0.731962D+01  0.104995D+02 -0.286017D+02  0.495197D+01
      2  -0.185936D+00  0.192663D+01 -0.330890D+01 -0.548072D+01 -0.639217D+01
      3  -0.805212D+01 -0.924625D+01 -0.719061D+01  0.340824D+02  0.144020D+01
      4  -0.292651D+01 -0.560985D+01 -0.495903D+01  0.768145D+01 -0.133347D+01
      5   0.351028D+01  0.102438D+02  0.467843D+01 -0.159994D+02  0.124328D+02
      6   0.906289D+01  0.836582D+01  0.125677D+02 -0.234128D+02 -0.421286D+00
               146           147           148           149           150 
      1  -0.182782D-01 -0.121017D+01  0.688704D+00 -0.121805D+01  0.484412D+01
      2   0.803432D+00 -0.462352D+01  0.193618D+01 -0.852343D+00  0.253052D+01
      3  -0.785154D+00  0.583369D+01 -0.262488D+01  0.207039D+01 -0.737464D+01
      4   0.398992D+01 -0.747519D+00  0.316461D+01 -0.318119D+01  0.123233D+01
      5  -0.281419D+01  0.101873D+02 -0.437003D+01  0.337707D+01 -0.577011D+01
      6   0.203949D+01 -0.590641D+00  0.934014D+00 -0.290181D+01  0.202704D+01
               151           152           153           154           155 
      1  -0.372638D+01  0.395297D+01 -0.130044D+02  0.432108D+00  0.105494D+01
      2  -0.604144D+01  0.140658D+01 -0.952080D+01 -0.568087D+01 -0.159639D+01
      3   0.976782D+01 -0.535955D+01  0.225252D+02  0.524876D+01  0.541449D+00
      4  -0.102276D+01  0.249811D+01 -0.175765D+01  0.174712D+01  0.283671D+01
      5   0.126288D+02 -0.399421D+01  0.158415D+02 -0.987206D+01 -0.239695D+01
      6  -0.155702D+01  0.463570D+01 -0.284820D+01  0.582967D+00 -0.182447D+01
               156           157           158           159           160 
      1   0.230362D+01 -0.172613D+01 -0.255246D+01  0.630866D+01  0.350543D+01
      2   0.551473D+01 -0.810596D+00 -0.104342D+01  0.296979D+01  0.718179D+01
      3  -0.781835D+01  0.253672D+01  0.359589D+01 -0.927845D+01 -0.106872D+02
      4  -0.519255D+00  0.195411D+01  0.127010D+01 -0.161728D+01 -0.174720D+01
      5   0.118211D+02 -0.249445D+01 -0.290565D+01  0.366275D+01  0.125869D+02
      6  -0.141079D+01 -0.130035D+01 -0.267520D+01  0.204096D+01  0.169196D+00
               161           162           163           164           165 
      1   0.321001D+01 -0.224757D+02  0.862648D+01 -0.277382D+01 -0.888390D+01
      2   0.227917D+01 -0.159585D+02 -0.732124D+01  0.825352D+00  0.621043D+01
      3  -0.548918D+01  0.384342D+02 -0.130523D+01  0.194847D+01  0.267347D+01
      4  -0.339914D+01  0.184327D+01 -0.672991D+01  0.101397D+02  0.705021D+01
      5   0.389796D+01 -0.204858D+02 -0.159019D+02  0.512809D+01  0.157053D+02
      6   0.517578D+01  0.344631D+00  0.487821D+01 -0.202138D+01 -0.351098D+01
               166           167           168           169           170 
      1   0.373860D+01  0.133330D+01 -0.224305D+01 -0.148907D+02 -0.425224D+01
      2  -0.304192D+01  0.648221D+00  0.119745D+01  0.126471D+02  0.805365D+00
      3  -0.696680D+00 -0.198152D+01  0.104560D+01  0.224365D+01  0.344688D+01
      4   0.124203D+02 -0.109028D+02 -0.100516D+02  0.121193D+02 -0.143815D+02
      5   0.555648D+01 -0.987347D+01 -0.103823D+02  0.265827D+02 -0.184775D+02
      6  -0.368169D+01  0.681100D+01  0.951567D+01 -0.904392D+01  0.117420D+02
               171           172           173           174           175 
      1  -0.331857D+01  0.187237D+02 -0.100724D+02  0.660003D+01 -0.102116D+02
      2  -0.108242D+02 -0.344174D+01 -0.299489D+00 -0.177668D+01 -0.401859D+01
      3   0.141428D+02 -0.152820D+02  0.103719D+02 -0.482336D+01  0.142301D+02
      4  -0.217597D+02 -0.219551D+02  0.242652D+02 -0.581101D+01  0.318056D+02
      5  -0.479128D+02  0.941002D+01 -0.369119D+01  0.732468D+01 -0.531063D+01
      6   0.190286D+02 -0.320948D+01  0.629900D+00 -0.175111D+01  0.222253D+01
               176           177           178           179           180 
      1   0.386460D+01 -0.568148D+00  0.168025D+02 -0.117009D+00  0.268242D+01
      2   0.172108D+02 -0.426515D+01 -0.447624D+01 -0.678657D+01  0.433296D+00
      3  -0.210754D+02  0.483330D+01 -0.123263D+02  0.690358D+01 -0.311572D+01
      4  -0.453441D+02  0.123670D+02 -0.137204D+02  0.216030D+02 -0.145197D+02
      5   0.112090D+02 -0.881942D+01  0.109576D+02 -0.127222D+02  0.837289D+01
      6  -0.479074D+01  0.541627D+01 -0.455280D+01  0.657364D+01 -0.435015D+01
               181           182           183           184           185 
      1   0.143627D+03 -0.171777D+02 -0.162636D+02 -0.254006D+02  0.145499D+02
      2  -0.729800D+02  0.888707D+01  0.808038D+01  0.126784D+02 -0.570839D+01
      3  -0.706469D+02  0.829062D+01  0.818322D+01  0.127222D+02 -0.884152D+01
      4  -0.132449D+02  0.130013D+02  0.148351D+01  0.171591D+02 -0.892396D+01
      5  -0.188025D+02  0.211215D+01  0.158412D+02  0.230155D+01 -0.618182D+01
      6   0.640840D+00 -0.105655D+01  0.122886D+01 -0.123185D+01 -0.127584D+00
               186           187           188           189           190 
      1   0.308603D+01 -0.184771D+02  0.232543D+01  0.171326D+02 -0.465875D+02
      2  -0.213772D+01  0.103426D+02 -0.207396D+01 -0.103217D+02  0.230498D+02
      3  -0.948307D+00  0.813453D+01 -0.251478D+00 -0.681088D+01  0.235377D+02
      4  -0.571663D+01  0.662291D+00 -0.528198D+01 -0.176721D+00 -0.474222D+01
      5  -0.561172D+00  0.230925D+02 -0.503452D+00 -0.449808D+01 -0.111814D+02
      6   0.226273D+01  0.339082D+00  0.245258D+01  0.693615D+00  0.586598D+01
               191           192           193           194           195 
      1   0.939147D+01  0.130699D+02  0.776277D+01 -0.852076D+01 -0.612428D+01
      2  -0.547937D+01 -0.179303D+01 -0.374566D+01  0.524335D+01  0.398119D+01
      3  -0.391209D+01 -0.112768D+02 -0.401710D+01  0.327741D+01  0.214309D+01
      4  -0.260164D+01 -0.122030D+01  0.146571D+01  0.352955D+01  0.533596D+01
      5  -0.118080D+01 -0.723674D+01 -0.497115D-01  0.429251D+01 -0.207081D+00
      6  -0.498117D+01 -0.620089D+01 -0.247073D+01  0.436446D+01  0.510172D+01
               196           197           198           199           200 
      1   0.932336D+01 -0.381140D+01 -0.105785D+02  0.328109D+02  0.209796D+02
      2  -0.158003D+01  0.202622D+01  0.148187D+01 -0.140304D+02 -0.559376D+01
      3  -0.774334D+01  0.178518D+01  0.909660D+01 -0.187806D+02 -0.153858D+02
      4   0.210634D+00  0.346589D+01 -0.150215D+01  0.331223D+02  0.305529D+02
      5   0.553891D+00 -0.131083D+01  0.261470D+01  0.261039D+02  0.163975D+02
      6  -0.367716D+01  0.415290D+01  0.236657D+01  0.122199D+02  0.109504D+02
               201           202           203           204           205 
      1   0.129199D+02  0.239761D+02  0.147799D+02  0.515308D+01  0.722109D+01
      2  -0.905915D+01 -0.568035D+01  0.337413D+01 -0.230220D+01 -0.619203D+01
      3  -0.386077D+01 -0.182958D+02 -0.181540D+02 -0.285088D+01 -0.102907D+01
      4   0.129197D+02  0.389544D+02  0.486691D+02  0.228529D+02  0.989624D+01
      5   0.210742D+02  0.227232D+02  0.269269D+02  0.199992D+02  0.181259D+02
      6   0.763167D+01  0.148152D+02  0.209348D+02  0.144928D+02  0.738082D+01
               206           207           208           209           210 
      1   0.194779D+01  0.695994D+01  0.106045D+02 -0.693745D+01  0.125805D+02
      2  -0.177955D+01 -0.553682D+01 -0.951641D+01  0.596145D+01 -0.112026D+02
      3  -0.168234D+00 -0.142312D+01 -0.108812D+01  0.975996D+00 -0.137797D+01
      4   0.126640D+02  0.123521D+02 -0.742554D+01  0.120667D+02 -0.543061D+01
      5   0.127770D+02  0.148905D+02  0.177168D+02 -0.790352D+01  0.187612D+02
      6   0.105116D+02  0.783764D+01 -0.173025D+01  0.417471D+01 -0.165752D+01
               211           212           213           214           215 
      1  -0.111670D+02  0.649630D+01 -0.316847D+01  0.105022D+02 -0.110126D+01
      2   0.101145D+02 -0.900395D+01  0.137275D+02 -0.116068D+02  0.973592D+01
      3   0.105248D+01  0.250765D+01 -0.105590D+02  0.110464D+01 -0.863467D+01
      4   0.130070D+02 -0.266269D+02  0.209585D+02 -0.562386D+01  0.160142D+02
      5  -0.145293D+02  0.239858D+02 -0.305109D+02  0.197303D+02 -0.196349D+02
      6   0.498800D+01 -0.122974D+02  0.925296D+01 -0.227720D+01  0.902623D+01
               216           217           218           219           220 
      1   0.269667D+01  0.101889D+01  0.160778D+01 -0.928336D+01 -0.147117D+01
      2  -0.196009D+02 -0.318283D+01  0.775328D+00  0.744987D+01  0.274020D+01
      3   0.169042D+02  0.216393D+01 -0.238310D+01  0.183349D+01 -0.126903D+01
      4  -0.178877D+02  0.265115D+01  0.651483D+01 -0.294122D+01  0.460846D+01
      5   0.373156D+02 -0.113809D+02 -0.105811D+01  0.142982D+02  0.128821D+01
      6  -0.773282D+01 -0.286195D+01 -0.141738D+01  0.202065D+01 -0.100637D+01
               221           222           223           224           225 
      1   0.960349D+00  0.272642D+00 -0.865727D+01  0.162433D+01 -0.115372D+02
      2  -0.243262D+01 -0.526492D+01  0.887211D+01 -0.377246D+01 -0.256823D+02
      3   0.147227D+01  0.499228D+01 -0.214835D+00  0.214813D+01  0.372195D+02
      4  -0.157394D+00 -0.547835D+01 -0.489695D+01 -0.853846D+01  0.291533D+01
      5  -0.651054D+01 -0.978303D+01  0.172914D+02  0.210131D+01 -0.680155D+02
      6  -0.155293D+00  0.337591D+01  0.435821D+01  0.721327D+01 -0.233651D+02
               226           227           228           229           230 
      1   0.263970D+02  0.200139D+02  0.167486D+01  0.180229D+02  0.100222D+02
      2  -0.495149D+00  0.453452D+01  0.122605D+00  0.796445D+01  0.273235D+02
      3  -0.259018D+02 -0.245484D+02 -0.179746D+01 -0.259874D+02 -0.373457D+02
      4   0.392469D+02  0.420871D+02 -0.169767D+01  0.452610D+02  0.674731D+02
      5  -0.404306D+01 -0.572145D+01  0.925428D+01 -0.542244D+01 -0.478888D+01
      6  -0.331720D+01 -0.482780D+01  0.524146D+01 -0.490295D+01 -0.847403D+01
               231           232           233           234           235 
      1  -0.346270D+00  0.635934D+01  0.142984D+01  0.376007D+01 -0.438815D+02
      2   0.885889D+00  0.278057D+00  0.497257D+01 -0.107637D+01  0.289433D+02
      3  -0.539619D+00 -0.663740D+01 -0.640242D+01 -0.268370D+01  0.149382D+02
      4  -0.143579D+01  0.701777D+01  0.116087D+02  0.813705D+01 -0.133290D+02
      5   0.681404D+01  0.775213D+01  0.658945D+01 -0.189510D+01  0.118721D+02
      6   0.613191D+01  0.449722D+01  0.501751D+01  0.464696D-01  0.933074D-01
               236           237           238           239           240 
      1   0.136091D+02  0.984118D+00  0.883924D+01 -0.117394D+02  0.519064D+00
      2  -0.133390D+02 -0.143365D+01 -0.791723D+01  0.132136D+02  0.197534D+00
      3  -0.270083D+00  0.449533D+00 -0.922015D+00 -0.147421D+01 -0.716598D+00
      4  -0.359228D+01  0.327836D+01  0.187738D+01  0.443015D+01  0.931388D+00
      5   0.534270D+00 -0.576150D+01 -0.112197D+01  0.292720D+01 -0.665438D+00
      6   0.349459D+01 -0.485793D+01  0.166653D+01 -0.136281D+01  0.919768D+00
               241           242           243           244           245 
      1   0.490252D+01 -0.246533D+01 -0.630454D+01  0.229883D+01  0.389269D+01
      2  -0.327118D+01  0.353612D+01  0.902391D+00 -0.374164D+01 -0.205587D+01
      3  -0.163134D+01 -0.107078D+01  0.540215D+01  0.144281D+01 -0.183682D+01
      4   0.150643D+01  0.380721D+01 -0.175545D+01  0.672427D+01  0.668847D+01
      5  -0.220342D+01 -0.136837D+00 -0.270579D+01 -0.112580D+02 -0.274239D+01
      6  -0.295047D+01  0.125445D+01 -0.492524D+00 -0.453676D+01 -0.733646D+00
               246           247           248           249           250 
      1  -0.604486D+01  0.427157D+01 -0.623751D-01  0.197816D+01 -0.761141D+01
      2   0.453985D+01 -0.182132D+01  0.969160D+00 -0.143072D+01  0.719884D+01
      3   0.150501D+01 -0.245024D+01 -0.906785D+00 -0.547438D+00  0.412577D+00
      4  -0.380005D+01  0.101239D+02  0.650803D+01 -0.790264D+01 -0.570447D+01
      5   0.119220D+02 -0.345568D+01 -0.817632D+01  0.999720D+01  0.158185D+02
      6   0.267929D+01 -0.218395D+01 -0.603752D+01  0.771784D+01  0.409789D+01
               251           252           253           254           255 
      1   0.215457D+01 -0.445271D+01 -0.810391D+02 -0.352680D+01  0.808914D+01
      2   0.554808D+00 -0.916485D+01  0.410830D+02  0.927219D+01 -0.544257D+01
      3  -0.270938D+01  0.136176D+02  0.399561D+02 -0.574539D+01 -0.264657D+01
      4  -0.995107D+01  0.103756D+02 -0.845826D+01  0.232851D+02  0.999382D+01
      5   0.911959D+01 -0.344595D+02  0.112064D+02  0.715382D+01  0.128345D+02
      6   0.747595D+01 -0.127265D+02  0.841139D+01  0.537764D+01  0.452276D+01
               256           257           258           259           260 
      1   0.144833D+02  0.331152D+02  0.267481D+01  0.273553D+02  0.376939D+01
      2  -0.364099D+01 -0.371098D+02 -0.629305D+01 -0.118856D+02 -0.324539D+01
      3  -0.108423D+02  0.399459D+01  0.361824D+01 -0.154697D+02 -0.523994D+00
      4   0.252417D+02 -0.268690D+02  0.518794D+01  0.194287D+02  0.137413D+02
      5   0.112396D+02  0.788646D+01  0.168579D+02  0.189327D+02  0.185122D+02
      6   0.562811D+01 -0.381848D+01  0.546381D+01  0.787105D+01  0.727356D+01
               261           262           263           264           265 
      1   0.152481D+02  0.616170D+01 -0.734253D+01  0.216607D+01 -0.666175D+01
      2   0.557905D+01  0.158641D+01 -0.110318D+01 -0.650936D-01 -0.710418D+01
      3  -0.208271D+02 -0.774811D+01  0.844570D+01 -0.210097D+01  0.137659D+02
      4   0.218079D+02 -0.127132D+02  0.160594D+02 -0.348666D+01  0.256273D+02
      5  -0.194685D+02  0.448253D+01 -0.371858D+01  0.324549D+01 -0.672303D+01
      6  -0.348131D+01 -0.290583D+01  0.284167D+01 -0.135125D+01  0.530210D+01
               266           267           268           269           270 
      1  -0.500207D+01  0.610283D+00  0.382493D+00  0.980679D+00 -0.651740D+00
      2   0.311425D+02 -0.501926D+01 -0.180793D+01  0.295717D+01  0.151814D+01
      3  -0.261404D+02  0.440898D+01  0.142544D+01 -0.393785D+01 -0.866402D+00
      4  -0.557655D+02  0.114523D+02  0.164050D+01 -0.310289D+01 -0.396454D+01
      5   0.123725D+02 -0.976696D+01  0.285346D+01 -0.401436D+01  0.424681D+01
      6  -0.130122D+02  0.729495D+01 -0.158882D+01  0.422532D+01 -0.275044D+01
               271           272           273           274           275 
      1   0.440650D+01 -0.109475D+01  0.627015D+01 -0.759629D+01 -0.635016D+01
      2  -0.589207D+01 -0.733168D+00 -0.247434D+01  0.355364D+01  0.264848D+01
      3   0.148557D+01  0.182791D+01 -0.379581D+01  0.404265D+01  0.370168D+01
      4  -0.254377D+01 -0.381127D+01  0.764432D-01 -0.359920D+01 -0.391220D+01
      5   0.394802D+01 -0.163976D+01  0.563265D+00 -0.426181D+01  0.415414D+01
      6  -0.237704D+00 -0.154428D+01 -0.999404D+00 -0.809175D+00 -0.351475D+00
               276           277           278           279           280 
      1  -0.532335D+00  0.995940D+01 -0.120872D+00 -0.117898D+02  0.128752D+03
      2   0.493092D+01 -0.667690D+01  0.398179D+01 -0.154694D+02 -0.616659D+02
      3  -0.439859D+01 -0.328250D+01 -0.386092D+01  0.272592D+02 -0.670865D+02
      4   0.449456D+01  0.415053D+01  0.814688D+01 -0.341894D+01  0.389170D+02
      5  -0.886802D+01  0.102213D+02 -0.243419D+01  0.433194D+02  0.944224D+01
      6   0.143480D+01  0.166727D+01  0.383462D+01  0.124126D+02 -0.100555D+01
               281           282           283           284           285 
      1   0.868951D+01 -0.152310D+01 -0.660312D+01  0.848498D+01 -0.882534D-01
      2  -0.110380D+01 -0.112776D+00  0.641581D+01 -0.971972D+00  0.458875D+00
      3  -0.758571D+01  0.163588D+01  0.187315D+00 -0.751301D+01 -0.370622D+00
      4   0.164455D+02  0.760241D+00  0.136185D+02  0.600272D+01 -0.132056D+01
      5   0.143062D+01  0.125079D+02 -0.134637D+01 -0.855460D+00 -0.261168D+01
      6   0.157383D+01  0.335018D+01  0.679926D+00  0.270059D+00  0.361916D-01
               286           287           288           289           290 
      1  -0.155674D+02 -0.137298D+01  0.985340D+01  0.113344D+01  0.133175D+02
      2   0.608267D+01 -0.187355D+00 -0.709348D+01  0.311061D+01 -0.126458D+02
      3   0.948477D+01  0.156033D+01 -0.275992D+01 -0.424406D+01 -0.671641D+00
      4  -0.649761D+01 -0.471078D+01  0.111790D+01  0.495139D+01 -0.449275D+01
      5   0.130873D+02 -0.891837D+00 -0.560877D+00 -0.190467D+01 -0.337419D+00
      6   0.334174D+01  0.449196D+00 -0.619584D+00 -0.152305D-01 -0.241994D+01
               291           292           293           294           295 
      1  -0.279938D-01  0.101924D+02 -0.309013D+02 -0.262256D+01 -0.437438D+01
      2  -0.475031D-01 -0.315212D+01  0.528263D+02  0.287435D+01  0.149714D+01
      3   0.754969D-01 -0.704033D+01 -0.219250D+02 -0.251792D+00  0.287724D+01
      4  -0.199785D+01  0.113165D+02  0.590972D+02  0.557355D+01 -0.323632D+01
      5  -0.259964D+01  0.269947D+01  0.305260D+01  0.665575D+01 -0.490353D+00
      6  -0.225497D+01  0.652206D+00  0.113068D+02  0.734310D+01 -0.338063D+00
               296           297 
      1  -0.149772D+01 -0.629567D+01
      2  -0.121768D+01  0.480490D+01
      3   0.271540D+01  0.149077D+01
      4  -0.333250D+01  0.435241D+01
      5   0.536975D+01  0.230889D+01
      6   0.720070D+01  0.144057D+01
 Leave Link  716 at Wed Sep 29 13:42:03 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.207480D+03 -0.821377D+00 -0.797638D+00
      2  -0.821377D+00  0.135538D+03 -0.648106D+01
      3  -0.797638D+00 -0.648106D+01  0.154302D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.321401D+01 -0.820438D+01  0.219824D+02
      2   0.110868D+02 -0.927010D+01  0.454387D+02
      3  -0.116603D+03 -0.371175D+02  0.123996D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.163691D+03  0.545095D+02 -0.249489D+01
      2  -0.877697D+02 -0.313720D+02  0.168822D+02
      3  -0.759210D+02 -0.231375D+02 -0.143873D+02
      4  -0.245596D+02  0.730082D+02 -0.263389D+02
      5  -0.424399D+01 -0.289797D+02  0.980333D+02
      6  -0.113521D+02  0.143783D+02 -0.266387D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.850796D+01  0.466354D+00  0.895317D+00 -0.170035D+01  0.154695D+01
      2   0.466354D+00  0.162764D+01 -0.664848D+00  0.154695D+01 -0.328669D+01
      3   0.895317D+00 -0.664848D+00  0.251198D+01  0.165949D+01  0.213504D+01
                 6             7             8             9            10 
      1   0.165949D+01  0.117774D+02  0.145531D+01 -0.785455D+00  0.281036D+02
      2   0.213504D+01  0.145531D+01  0.188005D-01  0.140556D+01  0.172094D+01
      3   0.839680D+00 -0.785455D+00  0.140556D+01  0.835022D+00 -0.124101D+01
                11            12            13            14            15 
      1   0.172094D+01 -0.124101D+01 -0.293057D+00  0.415963D+01  0.116091D+01
      2   0.197035D+01 -0.608793D+00  0.415963D+01 -0.112786D+01 -0.124556D+00
      3  -0.608793D+00  0.275881D+01  0.116091D+01 -0.124556D+00 -0.580232D+00
                16            17            18            19            20 
      1  -0.270474D+01  0.910449D+00  0.110097D+01  0.114077D+02 -0.467223D+00
      2   0.910449D+00  0.275479D+00 -0.111617D+01 -0.467223D+00 -0.216796D+01
      3   0.110097D+01 -0.111617D+01 -0.528583D+00 -0.119008D+01  0.131768D+01
                21            22            23            24            25 
      1  -0.119008D+01 -0.384272D+01 -0.147562D+01 -0.139672D+00  0.984944D+01
      2   0.131768D+01 -0.147562D+01 -0.253004D+01  0.222560D+01 -0.150933D+01
      3  -0.136718D+01 -0.139672D+00  0.222560D+01  0.198911D+01  0.133266D+00
                26            27            28            29            30 
      1  -0.150933D+01  0.133266D+00 -0.251647D+02  0.168680D+00  0.830221D+00
      2   0.115792D+01  0.134302D+01  0.168680D+00 -0.156861D+01  0.226170D+00
      3   0.134302D+01  0.154056D+01  0.830221D+00  0.226170D+00 -0.269261D+01
                31            32            33            34            35 
      1   0.271137D+01 -0.460739D+01 -0.155651D+01  0.294673D+01 -0.144753D+01
      2  -0.460739D+01  0.717553D+00  0.484287D+00 -0.144753D+01  0.139291D+00
      3  -0.155651D+01  0.484287D+00 -0.116617D+00 -0.543202D+00 -0.970673D+00
                36            37            38            39            40 
      1  -0.543202D+00  0.824357D+01 -0.675540D+00 -0.601392D+00  0.325301D+01
      2  -0.970673D+00 -0.675540D+00 -0.813012D+00 -0.535796D+00 -0.166847D+01
      3   0.331494D+00 -0.601392D+00 -0.535796D+00 -0.261725D+01 -0.108543D+01
                41            42            43            44            45 
      1  -0.166847D+01 -0.108543D+01 -0.119110D+02  0.158937D+00  0.529319D+00
      2   0.217369D+01 -0.217111D+01  0.158937D+00 -0.114300D+01 -0.813880D+00
      3  -0.217111D+01 -0.105429D+01  0.529319D+00 -0.813880D+00 -0.128285D+01
                46            47            48            49            50 
      1  -0.103911D+02  0.520797D+00  0.801410D+00  0.515532D+01  0.206894D+01
      2   0.520797D+00  0.928614D+00  0.789792D-01  0.206894D+01  0.176620D+01
      3   0.801410D+00  0.789792D-01  0.132347D+01 -0.331718D+00 -0.272228D+01
                51            52            53            54            55 
      1  -0.331718D+00 -0.910533D+01  0.353112D+00 -0.297108D+00 -0.128743D+02
      2  -0.272228D+01  0.353112D+00 -0.138496D+01 -0.887134D+00 -0.290573D+01
      3  -0.222288D+01 -0.297108D+00 -0.887134D+00 -0.152118D+01 -0.509719D+00
                56            57            58            59            60 
      1  -0.290573D+01 -0.509719D+00 -0.649309D+01 -0.719947D+01 -0.430887D+00
      2  -0.387138D+01 -0.519406D-01 -0.719947D+01 -0.289219D-01 -0.195420D+01
      3  -0.519406D-01 -0.157410D+01 -0.430887D+00 -0.195420D+01  0.194835D+01
                61            62            63            64            65 
      1  -0.152464D+01 -0.547703D+00 -0.321356D+01 -0.477578D+01  0.445651D+01
      2  -0.547703D+00 -0.247242D+01  0.290151D+01  0.445651D+01  0.303438D+01
      3  -0.321356D+01  0.290151D+01  0.438769D+01  0.229220D+01 -0.189665D+00
                66            67            68            69            70 
      1   0.229220D+01  0.125197D+02  0.520455D+01 -0.909652D-02  0.492365D+01
      2  -0.189665D+00  0.520455D+01  0.193018D+01  0.305679D+01  0.629552D+00
      3   0.675924D+00 -0.909652D-02  0.305679D+01 -0.263692D+01  0.217170D+00
                71            72            73            74            75 
      1   0.629552D+00  0.217170D+00  0.308856D+01 -0.335410D+01 -0.245929D+01
      2   0.316935D+01 -0.249210D+01 -0.335410D+01 -0.336821D+01 -0.161112D+00
      3  -0.249210D+01 -0.395879D+01 -0.245929D+01 -0.161112D+00 -0.147038D+01
                76            77            78            79            80 
      1  -0.496838D+01 -0.441444D+01 -0.559798D-01 -0.297360D+01  0.207173D+00
      2  -0.441444D+01 -0.134087D+01 -0.406991D+01  0.207173D+00 -0.311941D+01
      3  -0.559798D-01 -0.406991D+01  0.268422D+01 -0.431354D+00  0.251895D+01
                81            82            83            84            85 
      1  -0.431354D+00  0.355910D+01 -0.381102D+01 -0.123119D+01 -0.542362D+01
      2   0.251895D+01 -0.381102D+01 -0.373776D+01  0.310367D+00 -0.374969D+01
      3   0.226672D+01 -0.123119D+01  0.310367D+00 -0.949114D+00 -0.178987D+00
                86            87            88            89            90 
      1  -0.374969D+01 -0.178987D+00 -0.176720D+01 -0.773775D+00 -0.766578D+00
      2  -0.268142D+01 -0.228599D+01 -0.773775D+00 -0.300991D+01  0.206105D+01
      3  -0.228599D+01  0.284292D+01 -0.766578D+00  0.206105D+01  0.575633D+01
                91            92            93            94            95 
      1   0.415596D+01  0.211698D+01  0.177361D+01 -0.214567D+01  0.530032D+01
      2   0.211698D+01  0.160381D+01  0.336744D+00  0.530032D+01 -0.325466D+01
      3   0.177361D+01  0.336744D+00  0.157188D+01  0.138073D+01  0.416374D+00
                96            97            98            99           100 
      1   0.138073D+01  0.286079D+01  0.182170D+01  0.247190D+01  0.446105D+00
      2   0.416374D+00  0.182170D+01  0.542755D+00  0.260911D+01 -0.884577D+00
      3   0.210917D+01  0.247190D+01  0.260911D+01 -0.328852D+01 -0.140933D+01
               101           102           103           104           105 
      1  -0.884577D+00 -0.140933D+01 -0.205037D+00 -0.567421D+00  0.106259D+01
      2   0.115970D-01  0.677249D+00 -0.567421D+00  0.206992D+01 -0.169882D+01
      3   0.677249D+00  0.423790D+00  0.106259D+01 -0.169882D+01 -0.288104D+01
               106           107           108           109           110 
      1  -0.325688D+01  0.135211D+01  0.933083D+00 -0.230509D+01  0.174082D+01
      2   0.135211D+01 -0.292687D+01 -0.302837D+01  0.174082D+01 -0.896067D+00
      3   0.933083D+00 -0.302837D+01 -0.223610D+01  0.306201D+01 -0.712260D+00
               111           112           113           114           115 
      1   0.306201D+01  0.268053D+01 -0.262780D+01 -0.152940D+01  0.545400D+01
      2  -0.712260D+00 -0.262780D+01  0.494283D+01  0.382197D+01 -0.251465D+01
      3  -0.127432D+01 -0.152940D+01  0.382197D+01  0.338891D+01 -0.291917D+01
               116           117           118           119           120 
      1  -0.251465D+01 -0.291917D+01  0.203392D+00 -0.315413D+00 -0.135740D+01
      2   0.455185D+01  0.395707D+01 -0.315413D+00  0.156546D+01 -0.132945D+00
      3   0.395707D+01  0.881007D+01 -0.135740D+01 -0.132945D+00 -0.135418D+00
               121           122           123           124           125 
      1  -0.118885D+01  0.243889D+01 -0.345902D+00 -0.328261D+01  0.869755D+00
      2   0.243889D+01 -0.584675D+01 -0.268573D+00  0.869755D+00 -0.174106D+01
      3  -0.345902D+00 -0.268573D+00 -0.119537D+00 -0.876651D+00  0.128407D+01
               126           127           128           129           130 
      1  -0.876651D+00  0.371928D+01 -0.881147D+00  0.250494D+01 -0.144422D+01
      2   0.128407D+01 -0.881147D+00  0.100486D+01 -0.909548D+00  0.768778D+00
      3  -0.384775D+01  0.250494D+01 -0.909548D+00  0.214267D+01 -0.119540D+01
               131           132           133           134           135 
      1   0.768778D+00 -0.119540D+01  0.253173D+01 -0.113391D+01  0.281223D+01
      2  -0.837688D+00  0.968898D+00 -0.113391D+01  0.170393D+01 -0.202724D+01
      3   0.968898D+00 -0.195768D+01  0.281223D+01 -0.202724D+01  0.496109D+01
               136           137           138           139           140 
      1  -0.213108D+01 -0.639094D+00  0.206187D+01 -0.395393D+00 -0.237981D+00
      2  -0.639094D+00 -0.404376D+00  0.606067D+00 -0.237981D+00 -0.622370D+00
      3   0.206187D+01  0.606067D+00 -0.212461D+01  0.672334D+00  0.867682D+00
               141           142           143           144           145 
      1   0.672334D+00  0.206662D+01  0.942033D+00 -0.259187D+01 -0.436597D+01
      2   0.867682D+00  0.942033D+00  0.162028D+01 -0.227219D+01  0.107642D+01
      3  -0.219286D+01 -0.259187D+01 -0.227219D+01  0.723139D+01 -0.208340D+01
               146           147           148           149           150 
      1   0.107642D+01 -0.208340D+01  0.157606D+01 -0.698709D+00  0.110980D+01
      2  -0.835110D+00  0.559056D+00 -0.698709D+00  0.675125D+00 -0.605604D+00
      3   0.559056D+00 -0.179713D+01  0.110980D+01 -0.605604D+00  0.176709D+01
               151           152           153           154           155 
      1  -0.239340D+01  0.826174D+00 -0.262700D+01  0.226536D+01  0.742410D+00
      2   0.826174D+00 -0.113418D+01  0.140500D+01  0.742410D+00  0.417395D+00
      3  -0.262700D+01  0.140500D+01 -0.475771D+01 -0.198167D+01 -0.326582D+00
               156           157           158           159           160 
      1  -0.198167D+01  0.394358D+00  0.280448D+00 -0.594441D+00 -0.222219D+01
      2  -0.326582D+00  0.280448D+00  0.440422D+00 -0.602532D+00 -0.801387D+00
      3   0.195740D+01 -0.594441D+00 -0.602532D+00  0.188993D+01  0.266503D+01
               161           162           163           164           165 
      1  -0.801387D+00  0.266503D+01  0.160952D+01 -0.518293D+00 -0.175786D+01
      2  -0.114071D+01  0.139420D+01 -0.518293D+00  0.950066D+00  0.498310D+00
      3   0.139420D+01 -0.713947D+01 -0.175786D+01  0.498310D+00  0.138238D+01
               166           167           168           169           170 
      1   0.810264D+00  0.157695D+01  0.574105D+00 -0.425905D+01  0.695170D+00
      2   0.157695D+01 -0.131301D+01 -0.136235D+01  0.695170D+00 -0.185279D+01
      3   0.574105D+00 -0.136235D+01 -0.144579D+01  0.286666D+01 -0.252414D+01
               171           172           173           174           175 
      1   0.286666D+01  0.314684D+01 -0.188006D+01  0.114943D+01 -0.245948D+01
      2  -0.252414D+01 -0.188006D+01  0.227909D+01 -0.401827D+00  0.318888D+01
      3  -0.644763D+01  0.114943D+01 -0.401827D+00  0.683002D+00 -0.609303D+00
               176           177           178           179           180 
      1   0.318888D+01 -0.609303D+00  0.405563D+01 -0.848478D+00  0.129544D+01
      2  -0.547568D+01  0.151490D+01 -0.848478D+00  0.263129D+01 -0.168925D+01
      3   0.151490D+01 -0.115515D+01  0.129544D+01 -0.168925D+01  0.107482D+01
               181           182           183           184           185 
      1   0.133094D+02 -0.151381D+01 -0.155106D+01 -0.300339D+01  0.119596D+01
      2  -0.151381D+01  0.111310D+01  0.183749D+00  0.119596D+01 -0.107404D+01
      3  -0.155106D+01  0.183749D+00  0.134678D+01  0.145876D+00 -0.683500D+00
               186           187           188           189           190 
      1   0.145876D+00 -0.204633D+01  0.331890D-01  0.196982D+01 -0.680801D+01
      2  -0.683500D+00  0.331890D-01 -0.727483D+00  0.909250D-01  0.403135D+00
      3  -0.554825D-01  0.196982D+01  0.909250D-01 -0.280428D+00  0.701327D+00
               191           192           193           194           195 
      1   0.403135D+00  0.701327D+00  0.339498D+00 -0.744964D+00 -0.649430D+00
      2  -0.122370D+01 -0.744627D+00 -0.744964D+00  0.935142D+00  0.851272D+00
      3  -0.744627D+00 -0.191304D+01 -0.649430D+00  0.851272D+00  0.368326D+00
               196           197           198           199           200 
      1   0.648743D+00 -0.421800D+00 -0.967598D+00  0.413737D+01  0.310464D+01
      2  -0.421800D+00  0.625866D+00  0.121377D+00  0.310464D+01  0.287170D+01
      3  -0.967598D+00  0.121377D+00  0.102754D+01  0.211498D+01  0.122130D+01
               201           202           203           204           205 
      1   0.211498D+01  0.375171D+01  0.381339D+01  0.177101D+01  0.126895D+01
      2   0.122130D+01  0.381339D+01  0.532515D+01  0.259115D+01  0.917981D+00
      3   0.183021D+01  0.177101D+01  0.259115D+01  0.199701D+01  0.156916D+01
               206           207           208           209           210 
      1   0.917981D+00  0.156916D+01  0.129854D+01 -0.729683D+00  0.167598D+01
      2   0.141634D+01  0.127366D+01 -0.729683D+00  0.123107D+01 -0.617382D+00
      3   0.127366D+01  0.136752D+01  0.167598D+01 -0.617382D+00  0.158787D+01
               211           212           213           214           215 
      1  -0.137797D+01  0.126878D+01 -0.117791D+01  0.161857D+01 -0.654444D+00
      2   0.126878D+01 -0.331477D+01  0.253084D+01 -0.654444D+00  0.204383D+01
      3  -0.117791D+01  0.253084D+01 -0.341984D+01  0.163788D+01 -0.220623D+01
               216           217           218           219           220 
      1   0.163788D+01  0.326288D+00  0.357903D+00 -0.126442D+01 -0.220848D-01
      2  -0.220623D+01  0.357903D+00  0.615041D+00 -0.106338D+00  0.416601D+00
      3   0.420352D+01 -0.126442D+01 -0.106338D+00  0.108000D+01  0.483429D-01
               221           222           223           224           225 
      1   0.416601D+00  0.483429D-01 -0.150950D+01 -0.305791D+00  0.138348D+01
      2  -0.139347D+00 -0.795745D+00 -0.305791D+00 -0.126814D+01  0.261375D+00
      3  -0.795745D+00 -0.115158D+01  0.138348D+01  0.261375D+00 -0.890699D+01
               226           227           228           229           230 
      1   0.367296D+01  0.362815D+01 -0.459973D-01  0.346726D+01  0.431810D+01
      2   0.362815D+01  0.395731D+01 -0.268753D+00  0.431810D+01  0.753104D+01
      3  -0.459973D-01 -0.268753D+00  0.960860D+00 -0.172144D+00 -0.106862D+00
               231           232           233           234           235 
      1  -0.172144D+00  0.889980D+00  0.628702D+00  0.882229D+00 -0.703408D+01
      2  -0.106862D+00  0.628702D+00  0.139804D+01  0.777908D+00  0.617703D+00
      3   0.717114D+00  0.882229D+00  0.777908D+00 -0.196329D+00  0.592049D+00
               236           237           238           239           240 
      1   0.617703D+00  0.592049D+00  0.437918D+00 -0.132783D+01  0.230276D+00
      2  -0.211022D+01  0.383054D+00 -0.132783D+01  0.143826D+01  0.224987D+00
      3   0.383054D+00 -0.107878D+01  0.230276D+00  0.224987D+00  0.116585D+00
               241           242           243           244           245 
      1   0.784972D+00 -0.439508D-01 -0.596913D+00 -0.740807D-01 -0.919032D+00
      2  -0.439508D-01  0.679405D+00  0.116087D+00 -0.919032D+00 -0.647967D+00
      3  -0.596913D+00  0.116087D+00 -0.365994D+00  0.129851D+01  0.252511D+00
               246           247           248           249           250 
      1   0.129851D+01 -0.121708D+01 -0.115704D+01  0.366667D+00  0.248002D+01
      2   0.252511D+00 -0.115704D+01 -0.895247D+00  0.124264D+01  0.377721D+00
      3  -0.118019D+01  0.366667D+00  0.124264D+01 -0.142929D+01 -0.182899D+01
               251           252           253           254           255 
      1   0.377721D+00 -0.182899D+01  0.768913D+01 -0.118265D+01 -0.207173D+01
      2   0.146575D+01 -0.132631D+01 -0.118265D+01 -0.300358D+01 -0.979478D+00
      3  -0.132631D+01  0.519594D+01 -0.207173D+01 -0.979478D+00 -0.143392D+01
               256           257           258           259           260 
      1  -0.389341D+01 -0.260747D+01 -0.121912D+01 -0.622214D+01 -0.146757D+01
      2  -0.260747D+01  0.500300D+01 -0.432707D+00 -0.146757D+01 -0.168489D+01
      3  -0.121912D+01 -0.432707D+00 -0.227521D+01 -0.199245D+01 -0.236219D+01
               261           262           263           264           265 
      1  -0.199245D+01 -0.107470D+01  0.131685D+01 -0.532124D+00  0.220387D+01
      2  -0.236219D+01  0.131685D+01 -0.151936D+01  0.385674D+00 -0.303704D+01
      3   0.288937D+01 -0.532124D+00  0.385674D+00 -0.407769D+00  0.745961D+00
               266           267           268           269           270 
      1  -0.303704D+01  0.745961D+00 -0.600071D-01 -0.209390D+00 -0.302158D+00
      2   0.814789D+01 -0.164121D+01 -0.209390D+00  0.339626D+00  0.580466D+00
      3  -0.164121D+01  0.147156D+01 -0.302158D+00  0.580466D+00 -0.665359D+00
               271           272           273           274           275 
      1  -0.807908D-01  0.517858D+00 -0.616962D+00  0.145353D+01  0.342300D+00
      2   0.517858D+00  0.537147D+00  0.190427D+00  0.342300D+00  0.409293D+00
      3  -0.616962D+00  0.190427D+00  0.362965D+00  0.337479D+00 -0.707217D+00
               276           277           278           279           280 
      1   0.337479D+00 -0.178851D+01 -0.171680D+00 -0.720927D+00 -0.147141D+02
      2  -0.707217D+00 -0.171680D+00 -0.112428D+01  0.328970D+00 -0.138687D+01
      3   0.117999D+01 -0.720927D+00  0.328970D+00 -0.613192D+01 -0.979613D-01
               281           282           283           284           285 
      1  -0.138687D+01 -0.979613D-01  0.816039D+00 -0.126494D+01  0.134534D+00
      2  -0.122054D+01 -0.137853D+00 -0.126494D+01 -0.529099D+00  0.137638D+00
      3  -0.137853D+00 -0.101641D+01  0.134534D+00  0.137638D+00  0.385067D+00
               286           287           288           289           290 
      1   0.194149D+01  0.391797D+00 -0.115673D+01 -0.809646D-01 -0.891903D+00
      2   0.391797D+00  0.547970D+00  0.148787D+00 -0.891903D+00  0.166922D+01
      3  -0.115673D+01  0.148787D+00  0.801599D-01  0.248738D+00  0.322408D+00
               291           292           293           294           295 
      1   0.248738D+00 -0.149663D+01 -0.503228D+00 -0.118765D+00  0.928344D+00
      2   0.322408D+00 -0.503228D+00 -0.920724D+01 -0.836902D+00  0.280519D+00
      3   0.432215D+00 -0.118765D+00 -0.836902D+00 -0.100065D+01  0.150071D+00
               296           297 
      1   0.280519D+00  0.150071D+00
      2   0.402323D+00 -0.863200D+00
      3  -0.863200D+00 -0.403626D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.142644D+01  0.955745D+00  0.314289D+01  0.855896D+01  0.163446D+01
      2  -0.125170D+00 -0.210430D+01  0.394404D+01 -0.329933D+01 -0.155444D+01
      3   0.147823D+02 -0.139389D+01 -0.862122D+00  0.123607D+02  0.135078D+01
                 6             7             8             9            10 
      1  -0.233014D+01  0.240670D+01  0.333212D+01 -0.979500D-01 -0.263086D+01
      2   0.860345D+00 -0.429990D+01  0.600752D+00 -0.990685D-01  0.106657D+00
      3  -0.492781D+01 -0.129645D+02 -0.231247D+01 -0.104259D+01 -0.356918D+02
                11            12            13            14            15 
      1  -0.613888D+00  0.152218D+01  0.223854D+01  0.396228D+01 -0.857599D+01
      2   0.835222D+00 -0.225326D+01  0.407194D+01  0.100466D+00 -0.435690D-01
      3  -0.215909D+01  0.110188D+01  0.100178D+02 -0.191103D+01 -0.851895D+00
                16            17            18            19            20 
      1  -0.367246D+01 -0.227031D+01 -0.340366D+01 -0.177745D+01 -0.438001D+00
      2  -0.213967D+02 -0.158623D+01 -0.377658D+01 -0.169561D+01 -0.235293D+01
      3  -0.340456D-01 -0.625550D+00 -0.771255D+00 -0.145379D+02 -0.692404D+00
                21            22            23            24            25 
      1  -0.180792D+01 -0.472338D+01  0.197673D+01  0.531722D+00 -0.926506D+00
      2   0.822074D+01 -0.293689D+01  0.131329D+01 -0.205875D+01 -0.675953D+01
      3   0.279934D+01  0.157660D+02 -0.577618D+00  0.236862D+01 -0.100485D+02
                26            27            28            29            30 
      1   0.349064D+01  0.203927D+01 -0.779535D-01  0.151190D+01 -0.232087D+01
      2  -0.716252D+00  0.110346D+01  0.295742D+01  0.742681D+00 -0.258056D+01
      3   0.338992D+01  0.180503D+01  0.295826D+02 -0.118143D+00 -0.205707D+01
                31            32            33            34            35 
      1  -0.580724D+00  0.370614D+01 -0.881521D+01 -0.510161D+01 -0.161892D+01
      2   0.368313D+01  0.139445D+00  0.278108D+01 -0.231275D+02  0.432149D+01
      3   0.635601D+01  0.510699D+01  0.125459D+01 -0.676439D+01 -0.112550D+01
                36            37            38            39            40 
      1  -0.278269D+01  0.239163D+00  0.112135D+01 -0.147814D+01  0.551315D+01
      2   0.108322D+01 -0.391793D+01 -0.159315D+01  0.406325D+01 -0.369846D+01
      3   0.160724D+01 -0.111799D+02 -0.807379D+00  0.307967D+01  0.787731D+01
                41            42            43            44            45 
      1  -0.208652D+01 -0.331921D+01  0.370269D+01  0.181914D+01 -0.159890D+01
      2  -0.211029D+01  0.645414D+00 -0.234995D+01  0.279134D+00 -0.153536D+01
      3   0.164194D+01 -0.265044D+01  0.177550D+02 -0.131253D+01 -0.402502D+01
                46            47            48            49            50 
      1   0.138097D+01 -0.194596D+01  0.988584D+00 -0.721925D+01 -0.222998D+01
      2   0.316139D+01 -0.258466D+01  0.963512D+01 -0.173055D+01  0.223529D+01
      3   0.180433D+02 -0.193294D+01  0.267555D+01  0.691040D+01 -0.183949D+01
                51            52            53            54            55 
      1  -0.246074D+01 -0.117559D+01  0.197605D+01 -0.285996D+00  0.126861D+01
      2  -0.317746D+01 -0.432873D+01 -0.113951D+01  0.234652D+01 -0.643519D+01
      3   0.269841D+01  0.140184D+02  0.445469D+00  0.239042D+01  0.236331D+02
                56            57            58            59            60 
      1   0.147843D+01 -0.355766D+00  0.353896D+01 -0.294291D+01  0.237135D+01
      2  -0.637652D+00 -0.326071D+01 -0.388613D+01 -0.117587D+02  0.870259D+01
      3   0.127200D+02  0.765627D-01  0.407020D+02  0.105784D+02  0.814656D+01
                61            62            63            64            65 
      1  -0.899149D+00  0.813168D+01  0.397138D+01 -0.163858D+01  0.673372D-02
      2  -0.203839D+02  0.992804D+01  0.150262D+02  0.110556D+02 -0.150578D-02
      3   0.348389D+01  0.101791D+02 -0.557251D+01 -0.280483D+02 -0.165925D+02
                66            67            68            69            70 
      1  -0.830838D+00 -0.266772D+01 -0.223318D+01 -0.266727D+01  0.269697D+01
      2   0.670125D+01  0.399423D+01  0.145759D+02 -0.119739D+02 -0.158550D+01
      3   0.143416D+01 -0.261262D+02 -0.953840D+01 -0.127069D+02 -0.483478D+01
                71            72            73            74            75 
      1   0.568318D+01  0.197079D+01 -0.221052D+01 -0.638765D+01  0.709736D+00
      2  -0.107602D+02 -0.165535D+02 -0.176615D+02  0.530706D+01  0.286992D+01
      3  -0.138383D+02  0.878212D+01  0.176208D+02  0.910751D+01 -0.225209D+01
                76            77            78            79            80 
      1  -0.909898D+01  0.984825D+00 -0.141386D+02  0.863464D+00 -0.674659D+01
      2   0.676425D+01 -0.948625D+01  0.114688D+02  0.236703D+01  0.103613D+02
      3   0.174120D+02  0.266184D+01  0.158229D+02 -0.286228D+01  0.123560D+02
                81            82            83            84            85 
      1   0.337099D+01  0.573399D+01  0.427263D+01  0.163723D+01  0.560158D+01
      2   0.113094D+02  0.102505D+01 -0.395576D+01 -0.232657D+01 -0.680893D+01
      3  -0.103797D+02  0.244120D+02  0.394464D+01 -0.206380D+01  0.800644D+01
                86            87            88            89            90 
      1   0.901769D+01 -0.530361D+01  0.314521D+01  0.261921D+01 -0.157145D+02
      2  -0.133542D+02  0.111205D+02 -0.628959D+01  0.785479D+01  0.197189D+02
      3   0.252741D+01  0.947368D+01  0.708539D+00  0.109613D+02 -0.833894D+01
                91            92            93            94            95 
      1   0.166479D+01 -0.969074D+00  0.140496D+01  0.420277D+00 -0.137476D+01
      2  -0.973752D+01  0.186098D+00 -0.148263D+01 -0.545165D+00 -0.398645D+01
      3  -0.257974D+01 -0.632163D+00 -0.867485D+00  0.319517D+02 -0.152860D+02
                96            97            98            99           100 
      1  -0.238967D+01  0.141223D+01  0.521311D+01 -0.400890D+00  0.154918D+01
      2  -0.932463D+01 -0.165867D+02 -0.947422D+01  0.113180D+02  0.504269D+01
      3  -0.135295D+01  0.165746D+01 -0.929941D+00  0.624084D+01  0.126419D+02
               101           102           103           104           105 
      1   0.153725D+01 -0.311322D+01  0.118283D+01 -0.195325D+01  0.133665D+01
      2  -0.346017D+01  0.739524D+01 -0.101582D+01  0.519782D+01  0.158940D+02
      3  -0.149351D+02  0.143180D+01 -0.738612D+01 -0.454317D+00 -0.404058D+01
               106           107           108           109           110 
      1  -0.350993D+01 -0.900760D+00  0.477647D+01 -0.353291D+01 -0.207354D+01
      2  -0.531518D+00  0.120148D+02  0.897084D+01 -0.810366D+01  0.223857D+01
      3   0.836070D+01 -0.968663D+01 -0.866343D+01 -0.661677D-01 -0.414722D+00
               111           112           113           114           115 
      1   0.181518D+01 -0.188495D+01  0.388746D+01 -0.617800D+01  0.735430D+00
      2   0.416657D+01 -0.197632D+01 -0.104063D+02 -0.133810D+02  0.762604D+00
      3  -0.791931D-01 -0.296103D+01  0.191149D+02  0.118884D+02 -0.101747D+02
               116           117           118           119           120 
      1   0.646875D+01 -0.104541D+02  0.334916D+01 -0.582866D+00  0.524452D+00
      2  -0.117683D+02 -0.301340D+02  0.482079D+01 -0.991495D-02  0.186327D+01
      3   0.162428D+02  0.116838D+02 -0.282248D+01  0.375542D+01 -0.280389D+01
               121           122           123           124           125 
      1  -0.111340D+01  0.490972D+01 -0.206173D+01 -0.124347D+01  0.640124D+01
      2   0.104838D+01  0.301491D+01 -0.951884D+00 -0.130008D+01 -0.358348D+01
      3   0.746864D+01 -0.163874D+02 -0.180717D+01  0.271463D+01 -0.639040D+01
               126           127           128           129           130 
      1   0.728747D+01  0.349350D+01  0.161122D+01  0.292348D+01 -0.131722D+01
      2   0.141795D+02 -0.524445D+01 -0.116585D+00 -0.619027D+00  0.823778D+00
      3   0.466479D+01 -0.614754D+01 -0.113858D+01 -0.288323D+01  0.312788D+01
               131           132           133           134           135 
      1   0.499018D+00 -0.348244D+01  0.310530D+01  0.130645D+01  0.507163D+01
      2   0.791115D-01 -0.128130D+01 -0.260595D+01 -0.538130D+00  0.205389D+01
      3   0.420417D+00  0.816477D+00 -0.317755D+01 -0.149981D+01 -0.186577D+01
               136           137           138           139           140 
      1   0.209882D+01 -0.963804D+00 -0.246753D+01  0.979068D+00  0.145363D+00
      2   0.436550D+01  0.500057D+00 -0.143309D+01  0.434114D+00 -0.218729D-02
      3   0.308228D+01  0.856032D-01 -0.229572D+01  0.166959D+01 -0.216296D+00
               141           142           143           144           145 
      1  -0.355742D+01 -0.193759D+01  0.207205D+01  0.625203D+01 -0.254203D+01
      2   0.557685D+00 -0.450796D+01 -0.510717D+00 -0.391781D+00 -0.961020D+01
      3  -0.754756D+00 -0.263758D+01  0.691517D+00  0.227393D+01  0.585296D+00
               146           147           148           149           150 
      1   0.327743D+01 -0.897042D+00  0.150608D+01 -0.150085D+01 -0.435394D+00
      2   0.168097D+01 -0.170147D+01  0.185827D+01 -0.847486D+00  0.375426D+00
      3  -0.154933D+01  0.765459D+00  0.748233D+00  0.104837D+01 -0.146440D+00
               151           152           153           154           155 
      1  -0.195068D+01  0.403252D+01 -0.322853D+01 -0.283912D+01 -0.239430D+01
      2  -0.415369D+01  0.423307D+00  0.201530D+00  0.521841D+01  0.154602D+01
      3   0.885569D+00 -0.234586D+01  0.168956D+01 -0.932729D+00 -0.101837D+01
               156           157           158           159           160 
      1   0.129961D+01 -0.836569D+00 -0.148611D+01 -0.623126D-01  0.330156D+01
      2  -0.155391D+01  0.690716D+00  0.205637D+00  0.331098D+00 -0.481684D+01
      3   0.978378D+00  0.903801D+00 -0.344613D+00  0.224512D+00  0.131241D+01
               161           162           163           164           165 
      1   0.532814D+01 -0.555124D+01 -0.135270D+01 -0.347413D+00  0.139533D+01
      2  -0.622242D+00 -0.191425D+01 -0.623935D+01  0.824885D+00  0.522662D+01
      3   0.222326D+01 -0.188670D+01 -0.949294D+00 -0.388849D+01  0.740059D+00
               166           167           168           169           170 
      1  -0.112080D-01 -0.752199D-01 -0.214870D+01  0.274501D+01  0.671746D+00
      2   0.184404D+01 -0.368913D+01 -0.499800D+01  0.500290D+01 -0.890742D+01
      3  -0.489952D+01  0.249331D+01  0.328308D+01  0.324931D+01  0.556744D+01
               171           172           173           174           175 
      1  -0.709195D+01  0.188658D+01 -0.132999D+01  0.167720D+01 -0.243483D+01
      2  -0.219342D+02  0.666636D+01 -0.242333D+01  0.465843D+01 -0.296377D+01
      3   0.428197D+01  0.251618D+01 -0.666172D+01  0.651879D-01 -0.545447D+01
               176           177           178           179           180 
      1   0.389338D+01 -0.457523D+01  0.191545D+01 -0.228796D+01  0.309459D+01
      2   0.768996D+01 -0.554389D+01  0.433238D+01 -0.699959D+01  0.473805D+01
      3   0.149740D+02 -0.421668D+01 -0.272011D+01 -0.856473D+01  0.407879D+01
               181           182           183           184           185 
      1   0.346513D+00 -0.460940D+00 -0.253854D+00  0.520031D-01  0.463426D+00
      2  -0.366148D+01  0.462181D+00  0.866363D+01 -0.152635D+00 -0.313074D+01
      3   0.641857D+01 -0.801741D+01 -0.784482D+00 -0.246273D+01  0.505255D+01
               186           187           188           189           190 
      1  -0.100647D+01 -0.560775D+00  0.980580D+00 -0.114729D+00 -0.171424D+01
      2   0.599429D-01  0.646622D+01  0.544304D+00 -0.644939D+00  0.204605D+02
      3   0.329719D+01  0.182590D+00  0.385580D+01 -0.632870D+00 -0.100965D+02
               191           192           193           194           195 
      1  -0.244278D+01  0.131736D+01 -0.159753D+01  0.307038D+00  0.282127D-01
      2  -0.322564D+01 -0.749382D+01 -0.248983D+01  0.534696D+01  0.220579D+01
      3   0.329977D+01  0.371540D+01  0.483270D+01 -0.353601D+01 -0.361684D+01
               196           197           198           199           200 
      1   0.932550D+00  0.195713D+01 -0.517651D+00  0.353777D+01  0.501505D+01
      2  -0.828621D+01  0.118169D+01  0.523043D+01  0.203961D+01 -0.863200D-01
      3   0.243247D+01 -0.219279D+01 -0.162139D+01 -0.904656D+01 -0.109116D+02
               201           202           203           204           205 
      1  -0.560120D+00  0.561464D+01  0.778744D+01  0.388793D+00  0.867971D+00
      2   0.586933D+01 -0.188792D+00  0.465264D+01  0.658571D+01  0.271566D+01
      3  -0.331707D+01 -0.103701D+02 -0.197053D+02 -0.921971D+01 -0.189360D+01
               206           207           208           209           210 
      1   0.283345D+01  0.664200D+00 -0.261611D+01  0.303932D+01 -0.190480D+01
      2   0.317608D+01  0.333996D+01  0.561304D+01 -0.106318D+01  0.467465D+01
      3  -0.541474D+01 -0.398446D+01  0.285371D+01 -0.583179D+01  0.310023D+01
               211           212           213           214           215 
      1   0.271926D+01 -0.973921D+01  0.552348D+01 -0.217767D+01  0.787107D+01
      2  -0.902394D+00  0.869569D+01 -0.129213D+02  0.159614D+01 -0.820595D+01
      3  -0.325725D+01  0.143962D+02 -0.993151D+01  0.248749D+01 -0.855945D+01
               216           217           218           219           220 
      1  -0.629312D+01  0.182220D+01 -0.671199D+00 -0.154516D+01 -0.359699D+00
      2   0.145211D+02 -0.509450D+01 -0.361835D+00  0.299683D+01 -0.648025D+00
      3   0.904616D+01 -0.204754D+01 -0.261411D+01 -0.124523D+01 -0.557068D+00
               221           222           223           224           225 
      1   0.206279D+01  0.232658D+01 -0.152345D+01  0.483829D+01  0.161743D+02
      2  -0.247711D+01 -0.460132D+01 -0.308557D+00  0.176407D+00 -0.313253D+02
      3   0.155524D+01  0.249292D+01 -0.117629D+01  0.448513D+01 -0.754858D+00
               226           227           228           229           230 
      1  -0.428277D+01 -0.438564D+01 -0.296283D+01 -0.543157D+01 -0.870806D+01
      2   0.363907D+01  0.262444D+01  0.526501D+01  0.345548D+01  0.405274D+01
      3  -0.715389D+01 -0.104148D+02  0.132209D+01 -0.700071D+01 -0.220741D+02
               231           232           233           234           235 
      1  -0.380396D+01 -0.226652D+01 -0.190287D+01 -0.752145D+00 -0.624959D+00
      2   0.355529D+01  0.358593D+01  0.316924D+01  0.142526D+00 -0.860588D+01
      3   0.272225D+00 -0.583030D+00 -0.475405D+01 -0.156496D+01 -0.214587D+02
               236           237           238           239           240 
      1   0.179410D+01  0.251106D+01  0.149718D+01 -0.153433D+01 -0.110198D+01
      2   0.197457D+01 -0.118747D+01  0.155532D+01 -0.116557D+01 -0.323349D+00
      3   0.676607D+01 -0.739257D-01  0.736811D+01 -0.713165D+01 -0.693153D+00
               241           242           243           244           245 
      1   0.205158D+01  0.502986D+00  0.160027D+00  0.148289D+00 -0.345949D+00
      2  -0.347091D+01 -0.242738D+00 -0.190642D+01 -0.495707D+01 -0.436488D+00
      3   0.122384D+01 -0.256253D+01 -0.172904D+01 -0.294962D+01 -0.200545D+01
               246           247           248           249           250 
      1  -0.679880D+00 -0.121938D+00  0.212505D+00 -0.152363D+01 -0.769616D+00
      2   0.377048D+01  0.622568D-01 -0.331501D+01  0.493943D+01  0.110378D+01
      3  -0.678916D-01 -0.990003D+00 -0.205080D+01  0.330775D+01 -0.956060D+00
               251           252           253           254           255 
      1   0.207802D+01  0.292198D+01 -0.192527D+01  0.717339D+00 -0.235474D+01
      2   0.424929D+01 -0.161044D+02  0.179676D+02  0.427506D+01  0.809421D+01
      3   0.420618D+01 -0.300098D+01 -0.157517D+02 -0.114408D+02 -0.368305D+00
               256           257           258           259           260 
      1  -0.122989D+01 -0.593602D+01 -0.579218D+01 -0.941313D+00 -0.529154D+00
      2   0.377151D+01  0.239795D+00  0.830160D+01  0.469788D+01  0.894485D+01
      3  -0.238611D+01  0.234896D+02  0.908604D+00  0.161834D+01 -0.218896D+01
               261           262           263           264           265 
      1   0.790744D+01 -0.455355D-01  0.678527D+00  0.575848D+00  0.110546D+01
      2  -0.158127D+02  0.104803D+01 -0.595664D+00  0.130018D+01 -0.102016D+01
      3  -0.650843D+01  0.283403D+01 -0.356348D+01  0.140719D+01 -0.562700D+01
               266           267           268           269           270 
      1  -0.399211D+01 -0.248064D+01 -0.192395D+00  0.512585D-01 -0.212504D+00
      2   0.399829D+01 -0.480813D+01  0.333631D+00 -0.151844D+01  0.175910D+01
      3   0.252812D+02 -0.490394D+01 -0.492275D+00  0.124772D+01  0.172418D+01
               271           272           273           274           275 
      1  -0.218857D+01 -0.788892D+00  0.442233D+00 -0.219516D+00 -0.297358D+01
      2   0.565237D+01  0.436304D+00 -0.231704D+01  0.161505D+01  0.366956D+01
      3   0.249589D+01  0.971859D+00  0.104897D+01  0.836416D+00  0.144271D+01
               276           277           278           279           280 
      1   0.196810D+01 -0.196663D+00  0.418796D+01 -0.102764D+02  0.831500D+00
      2  -0.510337D+01 -0.247196D+01 -0.234169D+01  0.245091D+02 -0.932382D+01
      3  -0.301609D+01  0.123751D+01 -0.405853D+01  0.286179D+01  0.152435D+02
               281           282           283           284           285 
      1   0.720610D+00 -0.171405D+01  0.102115D+01  0.565151D+00  0.569015D-01
      2  -0.134717D+00  0.737629D+01 -0.581237D+00 -0.132150D+01 -0.147697D+01
      3  -0.601099D+01 -0.759495D+00 -0.475460D+01 -0.239817D+00  0.477154D+00
               286           287           288           289           290 
      1  -0.193987D+01  0.875424D+00 -0.111366D+00  0.122210D+01 -0.595728D+00
      2   0.448031D+01 -0.885497D+00 -0.652423D+00 -0.833064D+00 -0.172985D+01
      3  -0.118416D+01  0.172606D+01  0.232899D+01 -0.487805D+01  0.631967D+01
               291           292           293           294           295 
      1   0.135944D+01 -0.294532D+00  0.599020D+01 -0.348478D+01  0.696151D+00
      2  -0.138198D+01 -0.828007D+00  0.339791D+01  0.358412D+01 -0.163882D+01
      3   0.281627D+00  0.367323D+01 -0.322533D+02 -0.229460D+01 -0.824266D+00
               296           297 
      1  -0.690826D+00 -0.167657D-01
      2   0.298555D+01  0.163163D+01
      3   0.784969D+00 -0.311667D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.831266D+01  0.102907D+02 -0.227151D+02 -0.165023D+01 -0.129300D+02
      2   0.229248D+01 -0.745569D+01  0.738646D+01 -0.739453D+01  0.212998D+02
      3   0.602018D+01 -0.283503D+01  0.153286D+02  0.904476D+01 -0.836974D+01
      4   0.110580D+02 -0.557096D+00  0.561657D+01  0.838623D+01 -0.669325D+01
      5  -0.142910D+02  0.500256D+01 -0.452141D+00  0.827665D+01  0.325395D+01
      6   0.411536D+01  0.421214D+01 -0.461708D+01 -0.267355D+00 -0.579519D+01
                 6             7             8             9            10 
      1   0.518042D+01  0.338078D+02 -0.309305D+01  0.116005D+02  0.465800D+02
      2  -0.116249D+02 -0.904551D+01 -0.114382D+01 -0.577658D+01 -0.217310D+02
      3   0.644449D+01 -0.247623D+02  0.423687D+01 -0.582397D+01 -0.248490D+02
      4   0.247246D+01 -0.391311D+01  0.108857D+01  0.695006D+01 -0.810043D+01
      5   0.691253D+01  0.672832D+01  0.683314D+01 -0.614191D+01 -0.692029D+01
      6   0.445156D+01  0.104529D+02 -0.314612D+01  0.734150D+01  0.213052D+01
                11            12            13            14            15 
      1   0.861992D+01 -0.190222D+01  0.146318D+02 -0.223771D+01  0.566870D+01
      2  -0.777015D+01  0.319160D+01 -0.135610D+02  0.772740D+01 -0.406818D+00
      3  -0.849765D+00 -0.128938D+01 -0.107080D+01 -0.548969D+01 -0.526188D+01
      4   0.270596D+01 -0.284354D+01  0.163368D+02 -0.597706D+01 -0.111865D+01
      5  -0.348946D+01  0.898158D+01  0.121640D+02  0.126058D+00 -0.324422D+01
      6   0.654325D+00 -0.655467D+01 -0.418848D+01  0.395886D+01  0.806301D+01
                16            17            18            19            20 
      1  -0.945018D+01  0.598881D+01 -0.206259D+02  0.889458D+01 -0.126784D+02
      2  -0.132592D+01  0.385850D+01  0.348118D+01  0.765429D+00  0.110389D+02
      3   0.107761D+02 -0.984731D+01  0.171447D+02 -0.966001D+01  0.163953D+01
      4   0.136621D+02 -0.535482D+00 -0.316066D+01 -0.987853D+01  0.102951D+00
      5  -0.163124D+02 -0.386119D+01 -0.204882D+01  0.150743D+02  0.179314D+01
      6  -0.506034D+01  0.232485D+01 -0.443168D+01 -0.115723D+01 -0.515845D+01
                21            22            23            24            25 
      1   0.212974D+02  0.374337D+01 -0.108793D+02 -0.622481D+01 -0.153687D+02
      2  -0.113214D+02  0.461313D+01  0.167652D+02 -0.935795D+01  0.929960D+00
      3  -0.997597D+01 -0.835649D+01 -0.588598D+01  0.155828D+02  0.144388D+02
      4   0.249723D+01  0.130198D+02  0.628674D+01 -0.240092D+01 -0.375355D+01
      5  -0.109620D+02 -0.146036D+01 -0.142471D+01 -0.136253D+01  0.954030D+01
      6   0.600036D+01 -0.705386D+00 -0.611874D+01  0.502983D+01 -0.966583D+01
                26            27            28            29            30 
      1  -0.466454D+01  0.990454D+01  0.121738D+02 -0.238231D+01  0.216720D+01
      2  -0.288569D+01 -0.882877D+00 -0.237361D+01  0.575218D+01  0.133449D+00
      3   0.755024D+01 -0.902166D+01 -0.980017D+01 -0.336987D+01 -0.230065D+01
      4  -0.133348D+01 -0.604054D+01  0.186568D+02  0.179310D+01 -0.185066D+01
      5  -0.575421D+01  0.747882D+01  0.364917D+01 -0.147439D+01  0.729940D+01
      6   0.850291D+00  0.833256D+01  0.270046D+01 -0.579610D+00  0.482077D+01
                31            32            33            34            35 
      1  -0.300983D+01 -0.190986D+01  0.752424D+01 -0.829715D+01  0.917750D+01
      2   0.800137D+01  0.500131D+01 -0.208402D+01  0.165574D+01  0.209263D+01
      3  -0.499154D+01 -0.309145D+01 -0.544022D+01  0.664141D+01 -0.112701D+02
      4   0.131620D+02  0.847610D+00  0.145829D+01  0.106814D+02  0.457092D+01
      5   0.125176D+02  0.299103D+00  0.124376D+01 -0.189988D+02  0.354804D+01
      6  -0.104555D+01  0.351353D+01  0.603157D+01 -0.950050D+00  0.135305D+01
                36            37            38            39            40 
      1  -0.195704D+02 -0.310609D+01  0.456281D+01 -0.240274D+02 -0.843450D+01
      2   0.374614D+01 -0.109544D+01 -0.173146D+01  0.692305D+01 -0.181293D+01
      3   0.158242D+02  0.420153D+01 -0.283135D+01  0.171044D+02  0.102474D+02
      4   0.238940D+01  0.444935D+01 -0.118410D+01  0.283330D+01  0.452856D+01
      5   0.153044D+01 -0.182467D+02  0.263556D+01 -0.174007D+01  0.121242D+01
      6  -0.688736D+01  0.287689D+01  0.492632D+01  0.453694D+01  0.315925D+01
                41            42            43            44            45 
      1  -0.533275D+01 -0.593859D+01  0.204163D+02 -0.871303D+01  0.772471D+01
      2   0.630322D+01  0.413279D+00  0.575000D+00  0.203551D+01 -0.145288D+01
      3  -0.970467D+00  0.552531D+01 -0.209913D+02  0.667752D+01 -0.627183D+01
      4  -0.217588D+00  0.336915D+01  0.308985D+01  0.379485D+01  0.594873D+01
      5   0.147782D+01  0.774598D+01  0.113142D+02  0.526837D+01 -0.631301D+01
      6   0.287935D+01  0.784689D+01  0.105210D+02  0.196709D+01  0.107996D+02
                46            47            48            49            50 
      1   0.219415D+01 -0.788114D+01  0.208015D+02  0.119858D+02 -0.164784D+01
      2   0.580545D+01  0.353616D+01 -0.769299D+01 -0.297427D+01  0.285047D+01
      3  -0.799960D+01  0.434498D+01 -0.131085D+02 -0.901151D+01 -0.120262D+01
      4  -0.244896D+01  0.319805D+01 -0.149965D+01  0.878386D+01  0.466523D+01
      5   0.202471D+02 -0.139189D+00 -0.807593D+01 -0.854489D+01 -0.383406D+01
      6   0.131411D+00 -0.377218D+01  0.140459D+01 -0.243713D+01  0.411742D+01
                51            52            53            54            55 
      1  -0.174720D+02 -0.199634D+02 -0.978171D+01  0.629222D+01 -0.258860D+02
      2   0.240068D+01  0.248102D+01  0.302564D+01  0.426058D+01  0.120470D+02
      3   0.150713D+02  0.174824D+02  0.675607D+01 -0.105528D+02  0.138390D+02
      4  -0.436149D+01  0.329563D+01 -0.235937D+01 -0.481757D+01 -0.854711D+01
      5  -0.324320D+01  0.941491D+01 -0.402902D+01  0.595091D+01 -0.577488D+01
      6   0.126367D+02 -0.603426D+01  0.528878D+01  0.131044D+02  0.139271D+01
                56            57            58            59            60 
      1  -0.120365D+02 -0.566992D+01 -0.328389D+02 -0.261621D+02  0.776138D+00
      2   0.876205D+01  0.388611D+00  0.236356D+02  0.684822D+01  0.613077D+01
      3   0.327449D+01  0.528131D+01  0.920334D+01  0.193138D+02 -0.690691D+01
      4  -0.279204D+02  0.336999D+00 -0.481518D+02  0.100958D+02 -0.149189D+02
      5  -0.150141D+00 -0.126216D+02 -0.174009D+01 -0.147390D+02  0.156980D+02
      6   0.431550D+00  0.233996D+01  0.588208D+00  0.421170D+01 -0.545254D+01
                61            62            63            64            65 
      1  -0.137061D+02  0.627108D+00 -0.377260D+01 -0.896941D+02  0.300347D+02
      2  -0.126676D+01  0.761228D+01  0.615085D+01  0.484592D+02 -0.137779D+02
      3   0.149728D+02 -0.823939D+01 -0.237826D+01  0.412349D+02 -0.162568D+02
      4  -0.869445D+00 -0.186709D+02  0.261578D+02  0.284975D+02  0.234964D+02
      5  -0.246597D+02  0.226589D+02  0.337401D+02  0.229697D+02 -0.200409D+01
      6   0.106095D+02 -0.631944D+01 -0.109288D+02  0.835535D+00 -0.241577D+01
                66            67            68            69            70 
      1   0.226130D+02  0.626700D+02  0.253074D+02 -0.696107D+01  0.329660D+02
      2  -0.126616D+02 -0.292397D+02 -0.122209D+02  0.742191D+01 -0.137231D+02
      3  -0.995133D+01 -0.334303D+02 -0.130865D+02 -0.460845D+00 -0.192428D+02
      4  -0.100391D+01  0.319202D+02  0.111893D+02  0.220598D+02  0.248270D+01
      5   0.638888D+01 -0.115053D+01  0.235814D+02 -0.214297D+02  0.696556D+00
      6   0.149202D+01  0.113306D+01  0.565950D+01 -0.463522D+01 -0.272721D+01
                71            72            73            74            75 
      1  -0.394239D+01  0.397891D+01  0.368377D+02 -0.225493D+02 -0.184874D+02
      2   0.731810D+01 -0.193176D+01 -0.195033D+02  0.479227D+01  0.105963D+02
      3  -0.337572D+01 -0.204715D+01 -0.173343D+02  0.177571D+02  0.789116D+01
      4   0.212835D+02 -0.178496D+02 -0.211929D+02 -0.315845D+02 -0.567708D+01
      5  -0.185762D+02 -0.306424D+02 -0.108688D+02 -0.814801D+01 -0.181133D+02
      6  -0.545674D+01 -0.467885D+01 -0.146776D+02 -0.936006D+01 -0.866642D+00
                76            77            78            79            80 
      1  -0.307330D+02 -0.265556D+02 -0.122118D+01 -0.226402D+02  0.109087D+01
      2   0.670415D+01  0.170759D+02 -0.121253D+02  0.116601D+02 -0.121132D+02
      3   0.240289D+02  0.947975D+01  0.133465D+02  0.109801D+02  0.110223D+02
      4  -0.407725D+02 -0.144435D+02 -0.348251D+02 -0.186240D+01 -0.259210D+02
      5  -0.875407D+01 -0.416980D+02  0.217219D+02 -0.109465D+02  0.206909D+02
      6  -0.143296D+02 -0.647330D+01 -0.100973D+02  0.178625D+01 -0.802368D+01
                81            82            83            84            85 
      1  -0.106839D+02  0.373975D+02 -0.207645D+02 -0.109930D+02 -0.298389D+02
      2   0.164908D+01 -0.354700D+02 -0.636586D+00  0.496564D+01  0.139380D+01
      3   0.903483D+01 -0.192746D+01  0.214011D+02  0.602734D+01  0.284450D+02
      4   0.179341D+02 -0.172216D+02 -0.379283D+02 -0.277007D+00 -0.390219D+02
      5   0.121944D+02 -0.138805D+02  0.592864D+01 -0.560769D+01  0.354279D+01
      6   0.132761D+02  0.148318D+01  0.438703D+01 -0.302561D+01  0.300188D+01
                86            87            88            89            90 
      1  -0.257503D+02  0.822078D+01 -0.121134D+02  0.340975D+01 -0.369578D+00
      2  -0.786026D+00 -0.535181D+01  0.709449D+00 -0.688608D+01  0.237113D+02
      3   0.265363D+02 -0.286897D+01  0.114039D+02  0.347633D+01 -0.233417D+02
      4  -0.317978D+02 -0.144059D+02 -0.940646D+01 -0.213418D+02  0.119019D+02
      5  -0.122713D+02  0.211060D+02 -0.433980D+01  0.151677D+02  0.461503D+02
      6  -0.568194D+01  0.105932D+02 -0.138816D+01  0.101358D+02  0.977245D+01
                91            92            93            94            95 
      1   0.803551D+01 -0.522338D+01 -0.709094D+01 -0.622542D+01 -0.157899D+02
      2  -0.569709D+01  0.111430D-01  0.162559D+01  0.551162D+01  0.842135D+01
      3  -0.233842D+01  0.521224D+01  0.546535D+01  0.713806D+00  0.736854D+01
      4  -0.164372D+02 -0.142434D+02 -0.455587D+01 -0.339060D+02  0.148738D+02
      5  -0.163996D+02 -0.285944D+01 -0.103365D+02 -0.993861D+01 -0.513627D+01
      6  -0.468820D-03 -0.485414D+01 -0.603889D+01 -0.146814D+01  0.166681D+01
                96            97            98            99           100 
      1  -0.689107D+01 -0.166724D+02 -0.766134D+01 -0.479019D+01  0.673793D+01
      2   0.258073D+01  0.301366D+01 -0.385552D+00  0.606285D+01 -0.246431D+01
      3   0.431034D+01  0.136587D+02  0.804689D+01 -0.127267D+01 -0.427363D+01
      4  -0.511547D+01 -0.172624D+02 -0.613690D+01 -0.211684D+02  0.792642D+01
      5  -0.180733D+02 -0.194715D+02 -0.197994D+02  0.219843D+02  0.107965D+02
      6  -0.302998D+01 -0.885646D+01 -0.496144D+01  0.775282D+01 -0.537400D+01
               101           102           103           104           105 
      1   0.185449D+01  0.438627D+01  0.132856D+02  0.609692D+01  0.197758D+01
      2   0.290295D-01 -0.300814D+01 -0.112451D+02 -0.233799D+01  0.345409D+01
      3  -0.188352D+01 -0.137813D+01 -0.204050D+01 -0.375893D+01 -0.543167D+01
      4   0.996763D+00 -0.351821D+01 -0.289061D+01 -0.670784D+01  0.952237D+01
      5  -0.458677D+01 -0.303934D+01 -0.107242D+02  0.115025D+02  0.308687D+02
      6   0.318471D+01  0.660446D+01  0.516434D+01 -0.102894D+02 -0.185789D+02
               106           107           108           109           110 
      1   0.141127D+02  0.810921D+00  0.139018D+01  0.181160D+02 -0.135240D+02
      2  -0.207097D+01 -0.724043D+01  0.201692D+01 -0.107087D+02  0.604120D+01
      3  -0.120417D+02  0.642951D+01 -0.340710D+01 -0.740728D+01  0.748281D+01
      4  -0.976700D+01  0.203463D+02  0.221599D+02 -0.186665D+02  0.172284D+02
      5  -0.188111D+02  0.228023D+02  0.181984D+02 -0.270040D+02  0.900300D+01
      6   0.118021D+02 -0.213108D+02 -0.136590D+02  0.111452D+02 -0.266809D+01
               111           112           113           114           115 
      1  -0.208169D+02 -0.129044D+02 -0.822430D+01 -0.684440D+01 -0.243517D+02
      2   0.131903D+02  0.324580D+01  0.173983D+02  0.496441D+01  0.148814D+02
      3   0.762654D+01  0.965858D+01 -0.917401D+01  0.187999D+01  0.947032D+01
      4   0.118923D+02  0.271522D+02 -0.340245D+02 -0.236195D+02  0.222723D+02
      5   0.204414D+02  0.169407D+02 -0.257620D+02 -0.276990D+02  0.343926D+02
      6  -0.485084D+01 -0.780340D+01  0.240438D+02  0.265253D+02 -0.131583D+02
               116           117           118           119           120 
      1  -0.600612D+01 -0.690447D+01  0.775024D+01 -0.395054D+01  0.114788D+02
      2   0.668553D+01 -0.139233D+02 -0.653219D+01  0.736465D+01 -0.759843D+01
      3  -0.679412D+00  0.208278D+02 -0.121805D+01 -0.341412D+01 -0.388037D+01
      4  -0.300018D+02 -0.247061D+02  0.218963D+00 -0.508988D+01 -0.345732D+01
      5  -0.276123D+02 -0.646126D+02  0.103868D+02  0.747283D+00  0.753568D+01
      6   0.269752D+02  0.364339D+02 -0.397832D+01 -0.142812D+01 -0.139444D+01
               121           122           123           124           125 
      1   0.486079D+00 -0.328585D+01  0.327095D+01  0.152139D+02  0.181105D+01
      2   0.781849D+01 -0.141833D+02 -0.113784D+01 -0.832668D+01 -0.306643D+01
      3  -0.830457D+01  0.174692D+02 -0.213311D+01 -0.688724D+01  0.125537D+01
      4  -0.131430D+02  0.395054D+02  0.126759D+01 -0.909968D+01  0.119016D+02
      5   0.648513D+00  0.101226D+01 -0.188413D+01  0.159965D+02 -0.970358D+01
      6  -0.337572D+01  0.240572D+01  0.726636D+01 -0.401922D+01  0.131971D+02
               126           127           128           129           130 
      1  -0.211418D+01  0.348122D+01  0.273461D+01 -0.824782D+00  0.683223D+00
      2  -0.675161D+01 -0.303270D+01 -0.311744D+01 -0.207196D+01  0.677554D-01
      3   0.886578D+01 -0.448526D+00  0.382830D+00  0.289675D+01 -0.750978D+00
      4  -0.918999D+01 -0.938551D+01  0.755973D+01 -0.753489D+01  0.573555D+01
      5   0.284003D+02  0.158291D+02 -0.499179D+01  0.138103D+02 -0.667757D+01
      6  -0.163411D+02 -0.808670D+01  0.575139D+01 -0.810858D+01  0.560340D+01
               131           132           133           134           135 
      1  -0.351569D+01  0.526346D+01 -0.375019D+01  0.811117D+01 -0.142505D+02
      2   0.197888D+01 -0.773639D+00 -0.210430D+01 -0.447014D+01 -0.221744D+01
      3   0.153681D+01 -0.448982D+01  0.585448D+01 -0.364103D+01  0.164680D+02
      4  -0.559596D+01  0.588152D+01 -0.812294D+01  0.742328D+01 -0.103495D+02
      5   0.541397D+01 -0.791192D+01  0.151710D+02 -0.738012D+01  0.204241D+02
      6  -0.654649D+01  0.876017D+01 -0.102362D+02  0.118817D+02 -0.187589D+02
               136           137           138           139           140 
      1  -0.299703D+01 -0.181490D+01  0.529870D+01 -0.244109D+01 -0.480216D+01
      2  -0.251389D+01  0.599796D+00  0.259832D+01 -0.329512D+00  0.109839D+01
      3   0.551092D+01  0.121511D+01 -0.789701D+01  0.277060D+01  0.370377D+01
      4   0.536550D+01  0.352965D+01 -0.534943D+01  0.233439D+01  0.187508D+01
      5  -0.863488D+01 -0.330007D+01  0.110504D+02 -0.303534D+01 -0.269374D+01
      6  -0.598833D+01 -0.356665D+01  0.616827D+01 -0.312856D+01 -0.571517D+01
               141           142           143           144           145 
      1   0.823806D+01  0.731962D+01  0.104995D+02 -0.286017D+02  0.495197D+01
      2  -0.185936D+00  0.192663D+01 -0.330890D+01 -0.548072D+01 -0.639217D+01
      3  -0.805212D+01 -0.924625D+01 -0.719061D+01  0.340824D+02  0.144020D+01
      4  -0.292651D+01 -0.560985D+01 -0.495903D+01  0.768145D+01 -0.133347D+01
      5   0.351028D+01  0.102438D+02  0.467843D+01 -0.159994D+02  0.124328D+02
      6   0.906289D+01  0.836582D+01  0.125677D+02 -0.234128D+02 -0.421286D+00
               146           147           148           149           150 
      1  -0.182782D-01 -0.121017D+01  0.688704D+00 -0.121805D+01  0.484412D+01
      2   0.803432D+00 -0.462352D+01  0.193618D+01 -0.852343D+00  0.253052D+01
      3  -0.785154D+00  0.583369D+01 -0.262488D+01  0.207039D+01 -0.737464D+01
      4   0.398992D+01 -0.747519D+00  0.316461D+01 -0.318119D+01  0.123233D+01
      5  -0.281419D+01  0.101873D+02 -0.437003D+01  0.337707D+01 -0.577011D+01
      6   0.203949D+01 -0.590641D+00  0.934014D+00 -0.290181D+01  0.202704D+01
               151           152           153           154           155 
      1  -0.372638D+01  0.395297D+01 -0.130044D+02  0.432108D+00  0.105494D+01
      2  -0.604144D+01  0.140658D+01 -0.952080D+01 -0.568087D+01 -0.159639D+01
      3   0.976782D+01 -0.535955D+01  0.225252D+02  0.524876D+01  0.541449D+00
      4  -0.102276D+01  0.249811D+01 -0.175765D+01  0.174712D+01  0.283671D+01
      5   0.126288D+02 -0.399421D+01  0.158415D+02 -0.987206D+01 -0.239695D+01
      6  -0.155702D+01  0.463570D+01 -0.284820D+01  0.582967D+00 -0.182447D+01
               156           157           158           159           160 
      1   0.230362D+01 -0.172613D+01 -0.255246D+01  0.630866D+01  0.350543D+01
      2   0.551473D+01 -0.810596D+00 -0.104342D+01  0.296979D+01  0.718179D+01
      3  -0.781835D+01  0.253672D+01  0.359589D+01 -0.927845D+01 -0.106872D+02
      4  -0.519255D+00  0.195411D+01  0.127010D+01 -0.161728D+01 -0.174720D+01
      5   0.118211D+02 -0.249445D+01 -0.290565D+01  0.366275D+01  0.125869D+02
      6  -0.141079D+01 -0.130035D+01 -0.267520D+01  0.204096D+01  0.169196D+00
               161           162           163           164           165 
      1   0.321001D+01 -0.224757D+02  0.862648D+01 -0.277382D+01 -0.888390D+01
      2   0.227917D+01 -0.159585D+02 -0.732124D+01  0.825352D+00  0.621043D+01
      3  -0.548918D+01  0.384342D+02 -0.130523D+01  0.194847D+01  0.267347D+01
      4  -0.339914D+01  0.184327D+01 -0.672991D+01  0.101397D+02  0.705021D+01
      5   0.389796D+01 -0.204858D+02 -0.159019D+02  0.512809D+01  0.157053D+02
      6   0.517578D+01  0.344631D+00  0.487821D+01 -0.202138D+01 -0.351098D+01
               166           167           168           169           170 
      1   0.373860D+01  0.133330D+01 -0.224305D+01 -0.148907D+02 -0.425224D+01
      2  -0.304192D+01  0.648221D+00  0.119745D+01  0.126471D+02  0.805365D+00
      3  -0.696680D+00 -0.198152D+01  0.104560D+01  0.224365D+01  0.344688D+01
      4   0.124203D+02 -0.109028D+02 -0.100516D+02  0.121193D+02 -0.143815D+02
      5   0.555648D+01 -0.987347D+01 -0.103823D+02  0.265827D+02 -0.184775D+02
      6  -0.368169D+01  0.681100D+01  0.951567D+01 -0.904392D+01  0.117420D+02
               171           172           173           174           175 
      1  -0.331857D+01  0.187237D+02 -0.100724D+02  0.660003D+01 -0.102116D+02
      2  -0.108242D+02 -0.344174D+01 -0.299489D+00 -0.177668D+01 -0.401859D+01
      3   0.141428D+02 -0.152820D+02  0.103719D+02 -0.482336D+01  0.142301D+02
      4  -0.217597D+02 -0.219551D+02  0.242652D+02 -0.581101D+01  0.318056D+02
      5  -0.479128D+02  0.941002D+01 -0.369119D+01  0.732468D+01 -0.531063D+01
      6   0.190286D+02 -0.320948D+01  0.629900D+00 -0.175111D+01  0.222253D+01
               176           177           178           179           180 
      1   0.386460D+01 -0.568148D+00  0.168025D+02 -0.117009D+00  0.268242D+01
      2   0.172108D+02 -0.426515D+01 -0.447624D+01 -0.678657D+01  0.433296D+00
      3  -0.210754D+02  0.483330D+01 -0.123263D+02  0.690358D+01 -0.311572D+01
      4  -0.453441D+02  0.123670D+02 -0.137204D+02  0.216030D+02 -0.145197D+02
      5   0.112090D+02 -0.881942D+01  0.109576D+02 -0.127222D+02  0.837289D+01
      6  -0.479074D+01  0.541627D+01 -0.455280D+01  0.657364D+01 -0.435015D+01
               181           182           183           184           185 
      1   0.143627D+03 -0.171777D+02 -0.162636D+02 -0.254006D+02  0.145499D+02
      2  -0.729800D+02  0.888707D+01  0.808038D+01  0.126784D+02 -0.570839D+01
      3  -0.706469D+02  0.829062D+01  0.818322D+01  0.127222D+02 -0.884152D+01
      4  -0.132449D+02  0.130013D+02  0.148351D+01  0.171591D+02 -0.892396D+01
      5  -0.188025D+02  0.211215D+01  0.158412D+02  0.230155D+01 -0.618182D+01
      6   0.640840D+00 -0.105655D+01  0.122886D+01 -0.123185D+01 -0.127584D+00
               186           187           188           189           190 
      1   0.308603D+01 -0.184771D+02  0.232543D+01  0.171326D+02 -0.465875D+02
      2  -0.213772D+01  0.103426D+02 -0.207396D+01 -0.103217D+02  0.230498D+02
      3  -0.948307D+00  0.813453D+01 -0.251478D+00 -0.681088D+01  0.235377D+02
      4  -0.571663D+01  0.662291D+00 -0.528198D+01 -0.176721D+00 -0.474222D+01
      5  -0.561172D+00  0.230925D+02 -0.503452D+00 -0.449808D+01 -0.111814D+02
      6   0.226273D+01  0.339082D+00  0.245258D+01  0.693615D+00  0.586598D+01
               191           192           193           194           195 
      1   0.939147D+01  0.130699D+02  0.776277D+01 -0.852076D+01 -0.612428D+01
      2  -0.547937D+01 -0.179303D+01 -0.374566D+01  0.524335D+01  0.398119D+01
      3  -0.391209D+01 -0.112768D+02 -0.401710D+01  0.327741D+01  0.214309D+01
      4  -0.260164D+01 -0.122030D+01  0.146571D+01  0.352955D+01  0.533596D+01
      5  -0.118080D+01 -0.723674D+01 -0.497115D-01  0.429251D+01 -0.207081D+00
      6  -0.498117D+01 -0.620089D+01 -0.247073D+01  0.436446D+01  0.510172D+01
               196           197           198           199           200 
      1   0.932336D+01 -0.381140D+01 -0.105785D+02  0.328109D+02  0.209796D+02
      2  -0.158003D+01  0.202622D+01  0.148187D+01 -0.140304D+02 -0.559376D+01
      3  -0.774334D+01  0.178518D+01  0.909660D+01 -0.187806D+02 -0.153858D+02
      4   0.210634D+00  0.346589D+01 -0.150215D+01  0.331223D+02  0.305529D+02
      5   0.553891D+00 -0.131083D+01  0.261470D+01  0.261039D+02  0.163975D+02
      6  -0.367716D+01  0.415290D+01  0.236657D+01  0.122199D+02  0.109504D+02
               201           202           203           204           205 
      1   0.129199D+02  0.239761D+02  0.147799D+02  0.515308D+01  0.722109D+01
      2  -0.905915D+01 -0.568035D+01  0.337413D+01 -0.230220D+01 -0.619203D+01
      3  -0.386077D+01 -0.182958D+02 -0.181540D+02 -0.285088D+01 -0.102907D+01
      4   0.129197D+02  0.389544D+02  0.486691D+02  0.228529D+02  0.989624D+01
      5   0.210742D+02  0.227232D+02  0.269269D+02  0.199992D+02  0.181259D+02
      6   0.763167D+01  0.148152D+02  0.209348D+02  0.144928D+02  0.738082D+01
               206           207           208           209           210 
      1   0.194779D+01  0.695994D+01  0.106045D+02 -0.693745D+01  0.125805D+02
      2  -0.177955D+01 -0.553682D+01 -0.951641D+01  0.596145D+01 -0.112026D+02
      3  -0.168234D+00 -0.142312D+01 -0.108812D+01  0.975996D+00 -0.137797D+01
      4   0.126640D+02  0.123521D+02 -0.742554D+01  0.120667D+02 -0.543061D+01
      5   0.127770D+02  0.148905D+02  0.177168D+02 -0.790352D+01  0.187612D+02
      6   0.105116D+02  0.783764D+01 -0.173025D+01  0.417471D+01 -0.165752D+01
               211           212           213           214           215 
      1  -0.111670D+02  0.649630D+01 -0.316847D+01  0.105022D+02 -0.110126D+01
      2   0.101145D+02 -0.900395D+01  0.137275D+02 -0.116068D+02  0.973592D+01
      3   0.105248D+01  0.250765D+01 -0.105590D+02  0.110464D+01 -0.863467D+01
      4   0.130070D+02 -0.266269D+02  0.209585D+02 -0.562386D+01  0.160142D+02
      5  -0.145293D+02  0.239858D+02 -0.305109D+02  0.197303D+02 -0.196349D+02
      6   0.498800D+01 -0.122974D+02  0.925296D+01 -0.227720D+01  0.902623D+01
               216           217           218           219           220 
      1   0.269667D+01  0.101889D+01  0.160778D+01 -0.928336D+01 -0.147117D+01
      2  -0.196009D+02 -0.318283D+01  0.775328D+00  0.744987D+01  0.274020D+01
      3   0.169042D+02  0.216393D+01 -0.238310D+01  0.183349D+01 -0.126903D+01
      4  -0.178877D+02  0.265115D+01  0.651483D+01 -0.294122D+01  0.460846D+01
      5   0.373156D+02 -0.113809D+02 -0.105811D+01  0.142982D+02  0.128821D+01
      6  -0.773282D+01 -0.286195D+01 -0.141738D+01  0.202065D+01 -0.100637D+01
               221           222           223           224           225 
      1   0.960349D+00  0.272642D+00 -0.865727D+01  0.162433D+01 -0.115372D+02
      2  -0.243262D+01 -0.526492D+01  0.887211D+01 -0.377246D+01 -0.256823D+02
      3   0.147227D+01  0.499228D+01 -0.214835D+00  0.214813D+01  0.372195D+02
      4  -0.157394D+00 -0.547835D+01 -0.489695D+01 -0.853846D+01  0.291533D+01
      5  -0.651054D+01 -0.978303D+01  0.172914D+02  0.210131D+01 -0.680155D+02
      6  -0.155293D+00  0.337591D+01  0.435821D+01  0.721327D+01 -0.233651D+02
               226           227           228           229           230 
      1   0.263970D+02  0.200139D+02  0.167486D+01  0.180229D+02  0.100222D+02
      2  -0.495149D+00  0.453452D+01  0.122605D+00  0.796445D+01  0.273235D+02
      3  -0.259018D+02 -0.245484D+02 -0.179746D+01 -0.259874D+02 -0.373457D+02
      4   0.392469D+02  0.420871D+02 -0.169767D+01  0.452610D+02  0.674731D+02
      5  -0.404306D+01 -0.572145D+01  0.925428D+01 -0.542244D+01 -0.478888D+01
      6  -0.331720D+01 -0.482780D+01  0.524146D+01 -0.490295D+01 -0.847403D+01
               231           232           233           234           235 
      1  -0.346270D+00  0.635934D+01  0.142984D+01  0.376007D+01 -0.438815D+02
      2   0.885889D+00  0.278057D+00  0.497257D+01 -0.107637D+01  0.289433D+02
      3  -0.539619D+00 -0.663740D+01 -0.640242D+01 -0.268370D+01  0.149382D+02
      4  -0.143579D+01  0.701777D+01  0.116087D+02  0.813705D+01 -0.133290D+02
      5   0.681404D+01  0.775213D+01  0.658945D+01 -0.189510D+01  0.118721D+02
      6   0.613191D+01  0.449722D+01  0.501751D+01  0.464696D-01  0.933074D-01
               236           237           238           239           240 
      1   0.136091D+02  0.984118D+00  0.883924D+01 -0.117394D+02  0.519064D+00
      2  -0.133390D+02 -0.143365D+01 -0.791723D+01  0.132136D+02  0.197534D+00
      3  -0.270083D+00  0.449533D+00 -0.922015D+00 -0.147421D+01 -0.716598D+00
      4  -0.359228D+01  0.327836D+01  0.187738D+01  0.443015D+01  0.931388D+00
      5   0.534270D+00 -0.576150D+01 -0.112197D+01  0.292720D+01 -0.665438D+00
      6   0.349459D+01 -0.485793D+01  0.166653D+01 -0.136281D+01  0.919768D+00
               241           242           243           244           245 
      1   0.490252D+01 -0.246533D+01 -0.630454D+01  0.229883D+01  0.389269D+01
      2  -0.327118D+01  0.353612D+01  0.902391D+00 -0.374164D+01 -0.205587D+01
      3  -0.163134D+01 -0.107078D+01  0.540215D+01  0.144281D+01 -0.183682D+01
      4   0.150643D+01  0.380721D+01 -0.175545D+01  0.672427D+01  0.668847D+01
      5  -0.220342D+01 -0.136837D+00 -0.270579D+01 -0.112580D+02 -0.274239D+01
      6  -0.295047D+01  0.125445D+01 -0.492524D+00 -0.453676D+01 -0.733646D+00
               246           247           248           249           250 
      1  -0.604486D+01  0.427157D+01 -0.623751D-01  0.197816D+01 -0.761141D+01
      2   0.453985D+01 -0.182132D+01  0.969160D+00 -0.143072D+01  0.719884D+01
      3   0.150501D+01 -0.245024D+01 -0.906785D+00 -0.547438D+00  0.412577D+00
      4  -0.380005D+01  0.101239D+02  0.650803D+01 -0.790264D+01 -0.570447D+01
      5   0.119220D+02 -0.345568D+01 -0.817632D+01  0.999720D+01  0.158185D+02
      6   0.267929D+01 -0.218395D+01 -0.603752D+01  0.771784D+01  0.409789D+01
               251           252           253           254           255 
      1   0.215457D+01 -0.445271D+01 -0.810391D+02 -0.352680D+01  0.808914D+01
      2   0.554808D+00 -0.916485D+01  0.410830D+02  0.927219D+01 -0.544257D+01
      3  -0.270938D+01  0.136176D+02  0.399561D+02 -0.574539D+01 -0.264657D+01
      4  -0.995107D+01  0.103756D+02 -0.845826D+01  0.232851D+02  0.999382D+01
      5   0.911959D+01 -0.344595D+02  0.112064D+02  0.715382D+01  0.128345D+02
      6   0.747595D+01 -0.127265D+02  0.841139D+01  0.537764D+01  0.452276D+01
               256           257           258           259           260 
      1   0.144833D+02  0.331152D+02  0.267481D+01  0.273553D+02  0.376939D+01
      2  -0.364099D+01 -0.371098D+02 -0.629305D+01 -0.118856D+02 -0.324539D+01
      3  -0.108423D+02  0.399459D+01  0.361824D+01 -0.154697D+02 -0.523994D+00
      4   0.252417D+02 -0.268690D+02  0.518794D+01  0.194287D+02  0.137413D+02
      5   0.112396D+02  0.788646D+01  0.168579D+02  0.189327D+02  0.185122D+02
      6   0.562811D+01 -0.381848D+01  0.546381D+01  0.787105D+01  0.727356D+01
               261           262           263           264           265 
      1   0.152481D+02  0.616170D+01 -0.734253D+01  0.216607D+01 -0.666175D+01
      2   0.557905D+01  0.158641D+01 -0.110318D+01 -0.650936D-01 -0.710418D+01
      3  -0.208271D+02 -0.774811D+01  0.844570D+01 -0.210097D+01  0.137659D+02
      4   0.218079D+02 -0.127132D+02  0.160594D+02 -0.348666D+01  0.256273D+02
      5  -0.194685D+02  0.448253D+01 -0.371858D+01  0.324549D+01 -0.672303D+01
      6  -0.348131D+01 -0.290583D+01  0.284167D+01 -0.135125D+01  0.530210D+01
               266           267           268           269           270 
      1  -0.500207D+01  0.610283D+00  0.382493D+00  0.980679D+00 -0.651740D+00
      2   0.311425D+02 -0.501926D+01 -0.180793D+01  0.295717D+01  0.151814D+01
      3  -0.261404D+02  0.440898D+01  0.142544D+01 -0.393785D+01 -0.866402D+00
      4  -0.557655D+02  0.114523D+02  0.164050D+01 -0.310289D+01 -0.396454D+01
      5   0.123725D+02 -0.976696D+01  0.285346D+01 -0.401436D+01  0.424681D+01
      6  -0.130122D+02  0.729495D+01 -0.158882D+01  0.422532D+01 -0.275044D+01
               271           272           273           274           275 
      1   0.440650D+01 -0.109475D+01  0.627015D+01 -0.759629D+01 -0.635016D+01
      2  -0.589207D+01 -0.733168D+00 -0.247434D+01  0.355364D+01  0.264848D+01
      3   0.148557D+01  0.182791D+01 -0.379581D+01  0.404265D+01  0.370168D+01
      4  -0.254377D+01 -0.381127D+01  0.764432D-01 -0.359920D+01 -0.391220D+01
      5   0.394802D+01 -0.163976D+01  0.563265D+00 -0.426181D+01  0.415414D+01
      6  -0.237704D+00 -0.154428D+01 -0.999404D+00 -0.809175D+00 -0.351475D+00
               276           277           278           279           280 
      1  -0.532335D+00  0.995940D+01 -0.120872D+00 -0.117898D+02  0.128752D+03
      2   0.493092D+01 -0.667690D+01  0.398179D+01 -0.154694D+02 -0.616659D+02
      3  -0.439859D+01 -0.328250D+01 -0.386092D+01  0.272592D+02 -0.670865D+02
      4   0.449456D+01  0.415053D+01  0.814688D+01 -0.341894D+01  0.389170D+02
      5  -0.886802D+01  0.102213D+02 -0.243419D+01  0.433194D+02  0.944224D+01
      6   0.143480D+01  0.166727D+01  0.383462D+01  0.124126D+02 -0.100555D+01
               281           282           283           284           285 
      1   0.868951D+01 -0.152310D+01 -0.660312D+01  0.848498D+01 -0.882534D-01
      2  -0.110380D+01 -0.112776D+00  0.641581D+01 -0.971972D+00  0.458875D+00
      3  -0.758571D+01  0.163588D+01  0.187315D+00 -0.751301D+01 -0.370622D+00
      4   0.164455D+02  0.760241D+00  0.136185D+02  0.600272D+01 -0.132056D+01
      5   0.143062D+01  0.125079D+02 -0.134637D+01 -0.855460D+00 -0.261168D+01
      6   0.157383D+01  0.335018D+01  0.679926D+00  0.270059D+00  0.361916D-01
               286           287           288           289           290 
      1  -0.155674D+02 -0.137298D+01  0.985340D+01  0.113344D+01  0.133175D+02
      2   0.608267D+01 -0.187355D+00 -0.709348D+01  0.311061D+01 -0.126458D+02
      3   0.948477D+01  0.156033D+01 -0.275992D+01 -0.424406D+01 -0.671641D+00
      4  -0.649761D+01 -0.471078D+01  0.111790D+01  0.495139D+01 -0.449275D+01
      5   0.130873D+02 -0.891837D+00 -0.560877D+00 -0.190467D+01 -0.337419D+00
      6   0.334174D+01  0.449196D+00 -0.619584D+00 -0.152305D-01 -0.241994D+01
               291           292           293           294           295 
      1  -0.279938D-01  0.101924D+02 -0.309013D+02 -0.262256D+01 -0.437438D+01
      2  -0.475031D-01 -0.315212D+01  0.528263D+02  0.287435D+01  0.149714D+01
      3   0.754969D-01 -0.704033D+01 -0.219250D+02 -0.251792D+00  0.287724D+01
      4  -0.199785D+01  0.113165D+02  0.590972D+02  0.557355D+01 -0.323632D+01
      5  -0.259964D+01  0.269947D+01  0.305260D+01  0.665575D+01 -0.490353D+00
      6  -0.225497D+01  0.652206D+00  0.113068D+02  0.734310D+01 -0.338063D+00
               296           297 
      1  -0.149772D+01 -0.629567D+01
      2  -0.121768D+01  0.480490D+01
      3   0.271540D+01  0.149077D+01
      4  -0.333250D+01  0.435241D+01
      5   0.536975D+01  0.230889D+01
      6   0.720070D+01  0.144057D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.757998D+00      0.192664D+01      0.642657D+01
   x          0.339578D+00      0.863121D+00      0.287906D+01
   y         -0.287273D+00     -0.730175D+00     -0.243560D+01
   z         -0.613777D+00     -0.156006D+01     -0.520381D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158384D+03      0.234701D+02      0.261140D+02
   aniso      0.633642D+02      0.938960D+01      0.104473D+02
   xx         0.198599D+03      0.294294D+02      0.327446D+02
   yx        -0.102312D+01     -0.151610D+00     -0.168689D+00
   yy         0.129438D+03      0.191808D+02      0.213415D+02
   zx        -0.560188D+00     -0.830113D-01     -0.923625D-01
   zy        -0.677632D+01     -0.100415D+01     -0.111726D+01
   zz         0.147115D+03      0.218002D+02      0.242560D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.165773D+03      0.245651D+02      0.273323D+02
   aniso      0.656335D+02      0.972588D+01      0.108215D+02
   xx         0.207480D+03      0.307454D+02      0.342088D+02
   yx        -0.821377D+00     -0.121716D+00     -0.135427D+00
   yy         0.135538D+03      0.200847D+02      0.223472D+02
   zx        -0.797638D+00     -0.118198D+00     -0.131513D+00
   zy        -0.648106D+01     -0.960394D+00     -0.106858D+01
   zz         0.154302D+03      0.228652D+02      0.254410D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.28760434          2.59832437          0.22003044
     6          2.32589666          1.02981360          2.33546913
     6          0.15220063          2.78471432         -1.29390047
     6         -2.02627646          1.42109783         -0.73256865
     6         -2.00620346         -0.14115640          1.38928449
     6          0.13274060         -0.32507274          2.89328617
     6          4.66390755          0.76991602          3.93661390
     6          6.50351923         -1.34720087          3.10764077
     6          7.58604220         -0.88772567          0.47032298
     6          5.30942210         -3.97021009          3.28812522
     6         -4.34614380          1.67163823         -2.40637590
     6         -4.74517648         -0.76268360         -3.87141974
     8         -4.10025025         -1.10992945         -6.02315397
     8         -5.90052059         -2.57841186         -2.48352844
     1          3.95052802          3.69437260         -0.25093480
     1          0.17690336          4.01254203         -2.93151482
     1         -3.66687951         -1.23369200          1.86527738
     1          0.09818141         -1.54287017          4.53797168
     1          4.10906574          0.41242613          5.89389610
     1          5.69473309          2.55975554          3.92707375
     1          8.07460579         -1.27704677          4.45407549
     1          6.10900048         -0.97633875         -0.96693703
     1          8.99978794         -2.31685426          0.00633977
     1          8.48995435          0.96325697          0.33693319
     1          4.57495100         -4.33742109          5.18202266
     1          6.69901103         -5.43201851          2.85389788
     1          3.74934185         -4.17095621          1.95347297
     1         -3.92223151          3.07486282         -3.85198237
     6         -6.70977565          2.49348876         -0.94683459
     1         -6.00720084         -4.06751156         -3.54672920
     1         -7.20436234          1.13142946          0.51243645
     1         -8.32499589          2.68994272         -2.21354289
     1         -6.36078557          4.31319840         -0.04633557

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.757998D+00      0.192664D+01      0.642657D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.757998D+00      0.192664D+01      0.642657D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158384D+03      0.234701D+02      0.261140D+02
   aniso      0.633642D+02      0.938960D+01      0.104473D+02
   xx         0.186471D+03      0.276322D+02      0.307450D+02
   yx         0.467470D+00      0.692719D-01      0.770754D-01
   yy         0.137178D+03      0.203276D+02      0.226175D+02
   zx         0.233931D+02      0.346650D+01      0.385700D+01
   zy        -0.121619D+02     -0.180221D+01     -0.200522D+01
   zz         0.151504D+03      0.224506D+02      0.249796D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.165773D+03      0.245651D+02      0.273323D+02
   aniso      0.656335D+02      0.972588D+01      0.108215D+02
   xx         0.194857D+03      0.288748D+02      0.321276D+02
   yx         0.717939D-01      0.106388D-01      0.118372D-01
   yy         0.143304D+03      0.212355D+02      0.236276D+02
   zx         0.240977D+02      0.357092D+01      0.397318D+01
   zy        -0.125689D+02     -0.186252D+01     -0.207233D+01
   zz         0.159159D+03      0.235850D+02      0.262418D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F15-12\Freq\RM11\Gen\C13H18O2\PIERPA\29-Sep-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.999465,-1.19640
 4,0.969136\C,1.596854,-0.854615,-0.242805\C,-0.373383,-1.089601,1.1489
 9\C,-1.197567,-0.646006,0.11854\C,-0.60754,-0.309456,-1.099214\C,0.764
 497,-0.415297,-1.273478\C,3.089352,-0.933039,-0.42674\C,3.863458,0.355
 956,-0.060011\C,3.724742,0.714773,1.418841\C,3.474654,1.53835,-0.94648
 \C,-2.69829,-0.54755,0.336035\C,-3.112492,0.912406,0.380989\O,-3.30192
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 Other things may change us, but we start and end with family.
 -- Anthony Brandt
 Job cpu time:       0 days 14 hours 35 minutes 29.4 seconds.
 Elapsed time:       0 days  1 hours 49 minutes 32.8 seconds.
 File lengths (MBytes):  RWF=    603 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep 29 13:42:03 2021.
